2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

C17H17N5O4S — CID 117086063

IUPAC2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(Nc3cnccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4S/c1-24-11-6-10(7-12(25-2)15(11)26-3)21-16(23)13-8-20-17(27-13)22-14-9-18-4-5-19-14/h4-9H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyTZYYJJOTCGQJJW-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.95
Rot. Bonds7

About 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 117086063) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID117086063
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(Nc3cnccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4S/c1-24-11-6-10(7-12(25-2)15(11)26-3)21-16(23)13-8-20-17(27-13)22-14-9-18-4-5-19-14/h4-9H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyTZYYJJOTCGQJJW-UHFFFAOYSA-N
XLogP2.95
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093519
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
CID 117092377
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093194
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
2-methoxy-4-methyl-5-[[2-(pyrazin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoic acid
CID 177216773
2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109175043
N-(3-methoxyphenyl)-2-[4-[(Z)-2-nitroethenyl]anilino]-1,3-thiazole-5-carboxamide
CID 88575628
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 117086063) is 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2cnc(Nc3cnccn3)s2)cc(OC)c1OC.
What is the InChIKey of 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TZYYJJOTCGQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-24-11-6-10(7-12(25-2)15(11)26-3)21-16(23)13-8-20-17(27-13)22-14-9-18-4-5-19-14/h4-9H,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117086063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).