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

C14H19F3N2O2S — CID 35219978

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O2S/c1-9-8-22-13(21)19(9)6-5-12(20)18-11-4-2-3-10(7-11)14(15,16)17/h8,10-11H,2-7H2,1H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyQISIEOLWRSAQQA-WDEREUQCSA-N
MW336.38 g/mol
LogP2.85
Rot. Bonds4

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

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 35219978) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID35219978
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2O2S/c1-9-8-22-13(21)19(9)6-5-12(20)18-11-4-2-3-10(7-11)14(15,16)17/h8,10-11H,2-7H2,1H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyQISIEOLWRSAQQA-WDEREUQCSA-N
XLogP2.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide (CID 35219978) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide is Cc1csc(=O)n1CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is QISIEOLWRSAQQA-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-9-8-22-13(21)19(9)6-5-12(20)18-11-4-2-3-10(7-11)14(15,16)17/h8,10-11H,2-7H2,1H3,(H,18,20)/t10-,11+/m0/s1.
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 336.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 35219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).