7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H16N6OS — CID 17394675

IUPAC7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)cc2)cs1
InChIInChI=1S/C18H16N6OS/c1-11-7-8-19-18-22-16(23-24(11)18)17(25)20-9-13-3-5-14(6-4-13)15-10-26-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyDUYVXGSUFAIQKJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.79
Rot. Bonds4

About 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17394675) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17394675
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)cc2)cs1
InChIInChI=1S/C18H16N6OS/c1-11-7-8-19-18-22-16(23-24(11)18)17(25)20-9-13-3-5-14(6-4-13)15-10-26-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyDUYVXGSUFAIQKJ-UHFFFAOYSA-N
XLogP2.79
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2578252
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
7-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3400328
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
CID 66165203
5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121165941
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115699548
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17394675) is 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)cc2)cs1.
What is the InChIKey of 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DUYVXGSUFAIQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11-7-8-19-18-22-16(23-24(11)18)17(25)20-9-13-3-5-14(6-4-13)15-10-26-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,20,25).
What are the key properties of 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17394675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).