2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C14H13N5OS2 — CID 91114017

IUPAC2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1
InChIInChI=1S/C14H13N5OS2/c1-8-7-21-14(16-8)19-12(20)11-13(22-9(2)17-11)18-10-4-3-5-15-6-10/h3-7,18H,1-2H3,(H,16,19,20)
InChIKeyNQTGDKPCENZJQE-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 91114017) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID91114017
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1
InChIInChI=1S/C14H13N5OS2/c1-8-7-21-14(16-8)19-12(20)11-13(22-9(2)17-11)18-10-4-3-5-15-6-10/h3-7,18H,1-2H3,(H,16,19,20)
InChIKeyNQTGDKPCENZJQE-UHFFFAOYSA-N
XLogP3.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-[(5-chloro-3-pyridinyl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90997485
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90958058
[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
CID 11560023
2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid
CID 150676735
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 11515853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 91114017) is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1csc(NC(=O)c2nc(C)sc2Nc2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is NQTGDKPCENZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c1-8-7-21-14(16-8)19-12(20)11-13(22-9(2)17-11)18-10-4-3-5-15-6-10/h3-7,18H,1-2H3,(H,16,19,20).
What are the key properties of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).