4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide

C13H13F3N4OS — CID 138030705

IUPAC4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc(C(=O)NC(C)c2cnc(C)s2)n1
InChIInChI=1S/C13H13F3N4OS/c1-6-4-10(13(14,15)16)20-11(18-6)12(21)19-7(2)9-5-17-8(3)22-9/h4-5,7H,1-3H3,(H,19,21)
InChIKeyLIKQPQLVTOEYLK-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide

4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 138030705) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide
PubChem CID138030705
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc(C(=O)NC(C)c2cnc(C)s2)n1
InChIInChI=1S/C13H13F3N4OS/c1-6-4-10(13(14,15)16)20-11(18-6)12(21)19-7(2)9-5-17-8(3)22-9/h4-5,7H,1-3H3,(H,19,21)
InChIKeyLIKQPQLVTOEYLK-UHFFFAOYSA-N
XLogP3.06
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)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

5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide
CID 138031637
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169263010
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
CID 176529824
2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 138029901
1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 170310986
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 51121860
(2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 122049909
N,2-dimethyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 176676959
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282
2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 77492758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide (CID 138030705) is 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)nc(C(=O)NC(C)c2cnc(C)s2)n1.
What is the InChIKey of 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide?
The InChIKey is LIKQPQLVTOEYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c1-6-4-10(13(14,15)16)20-11(18-6)12(21)19-7(2)9-5-17-8(3)22-9/h4-5,7H,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide?
4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 138030705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).