N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide

C15H12N4OS — CID 56857360

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
SMILESCc1csc(NC(=O)c2ccc(-c3cncnc3)cc2)n1
InChIInChI=1S/C15H12N4OS/c1-10-8-21-15(18-10)19-14(20)12-4-2-11(3-5-12)13-6-16-9-17-7-13/h2-9H,1H3,(H,18,19,20)
InChIKeyTWMZGULWXZLETN-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.16
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide (PubChem CID 56857360) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
PubChem CID56857360
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
SMILESCc1csc(NC(=O)c2ccc(-c3cncnc3)cc2)n1
InChIInChI=1S/C15H12N4OS/c1-10-8-21-15(18-10)19-14(20)12-4-2-11(3-5-12)13-6-16-9-17-7-13/h2-9H,1H3,(H,18,19,20)
InChIKeyTWMZGULWXZLETN-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide 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-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704313
4-methyl-N-[3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 42909198

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide (CID 56857360) is N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide is Cc1csc(NC(=O)c2ccc(-c3cncnc3)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide?
The InChIKey is TWMZGULWXZLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-8-21-15(18-10)19-14(20)12-4-2-11(3-5-12)13-6-16-9-17-7-13/h2-9H,1H3,(H,18,19,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 56857360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).