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

C19H17ClN6OS — CID 71795655

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nc2n1
InChIInChI=1S/C19H17ClN6OS/c1-10-8-11(2)26-19(22-10)24-16(25-26)17(27)21-9-15-12(3)23-18(28-15)13-6-4-5-7-14(13)20/h4-8H,9H2,1-3H3,(H,21,27)
InChIKeyODCOULSMPJIFCS-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.76
Rot. Bonds4

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

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 71795655) has the molecular formula C19H17ClN6OS and a molecular weight of 412.91 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID71795655
Molecular FormulaC19H17ClN6OS
Molecular Weight412.91 g/mol
Exact Mass412.09
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nc2n1
InChIInChI=1S/C19H17ClN6OS/c1-10-8-11(2)26-19(22-10)24-16(25-26)17(27)21-9-15-12(3)23-18(28-15)13-6-4-5-7-14(13)20/h4-8H,9H2,1-3H3,(H,21,27)
InChIKeyODCOULSMPJIFCS-UHFFFAOYSA-N
XLogP3.76
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-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

N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169259
N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1205600
2-[6-(2-Chloro-phenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide
CID 3228959
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945494
N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 59757793
(6S)-7-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279621
US9777000, Example 5.29
CID 90383121
N'-(3-Chloro-4-methylphenyl)-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}ethanediamide
CID 16028764
N1-(3-chloro-2-methylphenyl)-N2-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)oxalamide
CID 16028791
2-[[6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22422920
US10793582, Example 103
CID 135319545
5-phenyl-N-(2-thienylmethyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101569

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 71795655) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nc2n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ODCOULSMPJIFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6OS/c1-10-8-11(2)26-19(22-10)24-16(25-26)17(27)21-9-15-12(3)23-18(28-15)13-6-4-5-7-14(13)20/h4-8H,9H2,1-3H3,(H,21,27).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 412.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).