N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H15F3N2O2S — CID 51083804

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O2S/c1-7(19)10-6-21-12(17-10)18-11(20)8-3-2-4-9(5-8)13(14,15)16/h6,8-9H,2-5H2,1H3,(H,17,18,20)
InChIKeyRDHVDDBIJPPDAK-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.65
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 51083804) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID51083804
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N2O2S/c1-7(19)10-6-21-12(17-10)18-11(20)8-3-2-4-9(5-8)13(14,15)16/h6,8-9H,2-5H2,1H3,(H,17,18,20)
InChIKeyRDHVDDBIJPPDAK-UHFFFAOYSA-N
XLogP3.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 51083804) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(=O)c1csc(NC(=O)C2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RDHVDDBIJPPDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-7(19)10-6-21-12(17-10)18-11(20)8-3-2-4-9(5-8)13(14,15)16/h6,8-9H,2-5H2,1H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51083804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).