ISDA: 9X2H

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EYX

IUPAC Name: ~{N}-(5-chloranyl-1,3-thiazol-2-yl)ethanamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cscn1

InChI: InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

InChI Key: FZWLAAWBMGSTSO-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C5 H5 Cl N2 O S

Molecular weight: 176.624

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	~{N}-(5-chloranyl-1,3-thiazol-2-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C5H5ClN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)
InChIKey	InChI	1.06	YLRXYIGXXMJPOP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)Nc1sc(Cl)cn1
SMILES	CACTVS	3.385	CC(=O)Nc1sc(Cl)cn1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ncc(s1)Cl
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ncc(s1)Cl