2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide

C15H13N5OS — CID 46964234

IUPAC2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-c3csnn3)c2)c(C)n1
InChIInChI=1S/C15H13N5OS/c1-9-13(7-16-10(2)17-9)15(21)18-12-5-3-4-11(6-12)14-8-22-20-19-14/h3-8H,1-2H3,(H,18,21)
InChIKeyAZXQXRGHQGKSBM-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.86
Rot. Bonds3

About 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 46964234) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID46964234
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-c3csnn3)c2)c(C)n1
InChIInChI=1S/C15H13N5OS/c1-9-13(7-16-10(2)17-9)15(21)18-12-5-3-4-11(6-12)14-8-22-20-19-14/h3-8H,1-2H3,(H,18,21)
InChIKeyAZXQXRGHQGKSBM-UHFFFAOYSA-N
XLogP2.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]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

N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492857
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
4-(3-methylphenyl)thiadiazole
CID 59767702
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 70687226
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730716
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide (CID 46964234) is 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(-c3csnn3)c2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is AZXQXRGHQGKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-9-13(7-16-10(2)17-9)15(21)18-12-5-3-4-11(6-12)14-8-22-20-19-14/h3-8H,1-2H3,(H,18,21).
What are the key properties of 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(thiadiazol-4-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46964234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).