ISDA: 5QJT

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: K24

IUPAC Name: N,2-dimethyl-1,3-thiazole-5-carboxamide

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: C6 H8 N2 O S

Molecular weight: 156.206

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	N,2-dimethyl-1,3-thiazole-5-carboxamide
OpenEye OEToolkits	2.0.6	~{N},2-dimethyl-1,3-thiazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(C(NC)=O)sc1C
InChI	InChI	1.03	InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
InChIKey	InChI	1.03	PUIJVJNJITYIIM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1sc(C)nc1
SMILES	CACTVS	3.385	CNC(=O)c1sc(C)nc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ncc(s1)C(=O)NC
SMILES	OpenEye OEToolkits	2.0.6	Cc1ncc(s1)C(=O)NC

Chemical Database Mapping

Database	Reference ID
PubChem	47002207
SureChEMBL	11956367