ISDA: 9ZRQ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1C3Q

IUPAC Name: naphtho[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: C11 H8 N2 S

Molecular weight: 200.260

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 14

Systematic name

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Nc1nc2c(ccc3ccccc32)s1
InChI	InChI	1.06	InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
InChIKey	InChI	1.06	FECQXVPRUCCUIL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1sc2ccc3ccccc3c2n1
SMILES	CACTVS	3.385	Nc1sc2ccc3ccccc3c2n1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)ccc3c2nc(s3)N
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)ccc3c2nc(s3)N

Chemical Database Mapping