5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide

C16H13N7OS — CID 11515853

IUPAC5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2nc(C)sc2Nc2cncc(C#N)c2)n1
InChIInChI=1S/C16H13N7OS/c1-9-3-4-19-16(20-9)23-14(24)13-15(25-10(2)21-13)22-12-5-11(6-17)7-18-8-12/h3-5,7-8,22H,1-2H3,(H,19,20,23,24)
InChIKeyVZYBBXPCXBIVOU-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.81
Rot. Bonds4

About 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide

5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 11515853) has the molecular formula C16H13N7OS and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID11515853
Molecular FormulaC16H13N7OS
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2nc(C)sc2Nc2cncc(C#N)c2)n1
InChIInChI=1S/C16H13N7OS/c1-9-3-4-19-16(20-9)23-14(24)13-15(25-10(2)21-13)22-12-5-11(6-17)7-18-8-12/h3-5,7-8,22H,1-2H3,(H,19,20,23,24)
InChIKeyVZYBBXPCXBIVOU-UHFFFAOYSA-N
XLogP2.81
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11530468
5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91233130
[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 87441144
5-[(5-chloro-3-pyridinyl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90997485
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11523340
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91258597
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90958058
(5-cyano-3-pyridinyl)urea
CID 159088018
2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
CID 91265426
4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
CID 2970304
N-(2-chloro-4-pyridinyl)-5-[3-(hydroxymethyl)anilino]-2-methyl-1,3-thiazole-4-carboxamide
CID 90809120

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide (CID 11515853) is 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccnc(NC(=O)c2nc(C)sc2Nc2cncc(C#N)c2)n1.
What is the InChIKey of 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VZYBBXPCXBIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS/c1-9-3-4-19-16(20-9)23-14(24)13-15(25-10(2)21-13)22-12-5-11(6-17)7-18-8-12/h3-5,7-8,22H,1-2H3,(H,19,20,23,24).
What are the key properties of 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide?
5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11515853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).