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

C17H17N5O4S — CID 117093519

IUPAC2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(Nc3ncccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4S/c1-24-11-7-10(8-12(25-2)14(11)26-3)21-15(23)13-9-20-17(27-13)22-16-18-5-4-6-19-16/h4-9H,1-3H3,(H,21,23)(H,18,19,20,22)
InChIKeyOTRTYXVQUYAXQL-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.95
Rot. Bonds7

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

2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 117093519) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID117093519
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(Nc3ncccn3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4S/c1-24-11-7-10(8-12(25-2)14(11)26-3)21-15(23)13-9-20-17(27-13)22-16-18-5-4-6-19-16/h4-9H,1-3H3,(H,21,23)(H,18,19,20,22)
InChIKeyOTRTYXVQUYAXQL-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

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Related Compounds

2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117086063
N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
CID 117092377
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093194
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2592805
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7913721
methyl 2-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103816
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 117093519) is 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2cnc(Nc3ncccn3)s2)cc(OC)c1OC.
What is the InChIKey of 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OTRTYXVQUYAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-24-11-7-10(8-12(25-2)14(11)26-3)21-15(23)13-9-20-17(27-13)22-16-18-5-4-6-19-16/h4-9H,1-3H3,(H,21,23)(H,18,19,20,22).
What are the key properties of 2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
2-(pyrimidin-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-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117093519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).