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

C15H17F3N4OS — CID 50966775

IUPAC2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)s1
InChIInChI=1S/C15H17F3N4OS/c1-4-12-21-9(3)13(24-12)14(23)19-6-5-11-20-8(2)7-10(22-11)15(16,17)18/h7H,4-6H2,1-3H3,(H,19,23)
InChIKeyVMVXJWPJQNXYPL-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.10
Rot. Bonds5

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

2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 50966775) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID50966775
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)s1
InChIInChI=1S/C15H17F3N4OS/c1-4-12-21-9(3)13(24-12)14(23)19-6-5-11-20-8(2)7-10(22-11)15(16,17)18/h7H,4-6H2,1-3H3,(H,19,23)
InChIKeyVMVXJWPJQNXYPL-UHFFFAOYSA-N
XLogP3.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 709431
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72861628
2,4-dimethyl-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]-1,3-thiazole-5-carboxamide
CID 91626460
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-ethylacetamide
CID 49670866
N-(2-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 49676089
2,4-dimethyl-N-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]methyl}-1,3-thiazole-5-carboxamide
CID 72718291
4-methyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 71796950
N-{cis-3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl}-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
CID 91765312
2-Amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-YL)propyl]pyrimidine-4-carboxamide
CID 118789124
2,4-dimethyl-N-((6-methylpyrimidin-4-yl)methyl)thiazole-5-carboxamide
CID 122263300
2-(cyclopropylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 128475001
4-ethyl-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 59579859

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 50966775) is 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VMVXJWPJQNXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-4-12-21-9(3)13(24-12)14(23)19-6-5-11-20-8(2)7-10(22-11)15(16,17)18/h7H,4-6H2,1-3H3,(H,19,23).
What are the key properties of 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50966775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).