2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

C13H17F3N2O2S — CID 36817139

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-8-7-21-12(20)18(8)6-11(19)17-10-5-3-2-4-9(10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyHCEVQRYXONMETC-VHSXEESVSA-N
MW322.35 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 36817139) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID36817139
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-8-7-21-12(20)18(8)6-11(19)17-10-5-3-2-4-9(10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyHCEVQRYXONMETC-VHSXEESVSA-N
XLogP2.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 45796024
N-(4-methylcyclohexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 8894178
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147805
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 35219968
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 35219973
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 35219978
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 35219983
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36817141
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36817143
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36817145
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 42942810
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 45806038

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 36817139) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is Cc1csc(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is HCEVQRYXONMETC-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-8-7-21-12(20)18(8)6-11(19)17-10-5-3-2-4-9(10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H,17,19)/t9-,10+/m0/s1.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 36817139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).