2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C17H17N5OS — CID 145489207

IUPAC2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1csc(NC(=O)c2cnc(NCc3ccccc3C)nc2)n1
InChIInChI=1S/C17H17N5OS/c1-11-5-3-4-6-13(11)7-18-16-19-8-14(9-20-16)15(23)22-17-21-12(2)10-24-17/h3-6,8-10H,7H2,1-2H3,(H,18,19,20)(H,21,22,23)
InChIKeyATPCGADDGWARTI-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 145489207) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID145489207
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1csc(NC(=O)c2cnc(NCc3ccccc3C)nc2)n1
InChIInChI=1S/C17H17N5OS/c1-11-5-3-4-6-13(11)7-18-16-19-8-14(9-20-16)15(23)22-17-21-12(2)10-24-17/h3-6,8-10H,7H2,1-2H3,(H,18,19,20)(H,21,22,23)
InChIKeyATPCGADDGWARTI-UHFFFAOYSA-N
XLogP3.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-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

4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 145489177
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
methyl 4-[[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109255774
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
3,5-bis[(2-fluorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 59735905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 145489207) is 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is Cc1csc(NC(=O)c2cnc(NCc3ccccc3C)nc2)n1.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is ATPCGADDGWARTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-5-3-4-6-13(11)7-18-16-19-8-14(9-20-16)15(23)22-17-21-12(2)10-24-17/h3-6,8-10H,7H2,1-2H3,(H,18,19,20)(H,21,22,23).
What are the key properties of 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 145489207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).