N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide

C20H18F3N3OS — CID 158527756

IUPACN-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3OS/c1-3-13-7-4-5-9-15(13)25-19(27)18-12(2)26-28-17(18)11-16-14(20(21,22)23)8-6-10-24-16/h4-10H,3,11H2,1-2H3,(H,25,27)
InChIKeyHMZKJORTCQVTRU-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.27
Rot. Bonds5

About N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide

N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 158527756) has the molecular formula C20H18F3N3OS and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID158527756
Molecular FormulaC20H18F3N3OS
Molecular Weight405.45 g/mol
Exact Mass405.11
IUPAC NameN-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3OS/c1-3-13-7-4-5-9-15(13)25-19(27)18-12(2)26-28-17(18)11-16-14(20(21,22)23)8-6-10-24-16/h4-10H,3,11H2,1-2H3,(H,25,27)
InChIKeyHMZKJORTCQVTRU-UHFFFAOYSA-N
XLogP5.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 161063080
N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
CID 90329749
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
CID 132547082
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
3-ethyl-6-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 46397361
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167141010
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119438731

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide (CID 158527756) is N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide is CCc1ccccc1NC(=O)c1c(C)nsc1Cc1ncccc1C(F)(F)F.
What is the InChIKey of N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is HMZKJORTCQVTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3OS/c1-3-13-7-4-5-9-15(13)25-19(27)18-12(2)26-28-17(18)11-16-14(20(21,22)23)8-6-10-24-16/h4-10H,3,11H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide?
N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 158527756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).