ISDA: 9ZRK

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1C3U

IUPAC Name: 5-methylnaphtho[1,2-d][1,3]thiazol-2-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2c(c1)ccc1scnc12

InChI: InChI=1S/C11H7NS/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10/h1-7H

InChI Key: KXNQKOAQSGJCQU-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C12 H10 N2 S

Molecular weight: 214.286

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	5-methylnaphtho[1,2-d][1,3]thiazol-2-amine
OpenEye OEToolkits	3.1.0.0	5-methylbenzo[e][1,3]benzothiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cc2sc(N)nc2c2ccccc12
InChI	InChI	1.06	InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKey	InChI	1.06	JQZQMZXXJFFVFE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2sc(N)nc2c3ccccc13
SMILES	CACTVS	3.385	Cc1cc2sc(N)nc2c3ccccc13
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cc2c(c3c1cccc3)nc(s2)N
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc2c(c3c1cccc3)nc(s2)N

Chemical Database Mapping