N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide

C13H18N2O2S — CID 60717010

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
SMILESCC(=O)c1csc(NC(=O)CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O2S/c1-9(16)11-8-18-13(14-11)15-12(17)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,15,17)
InChIKeyFNWIJZJJBLPGLJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.25
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide (PubChem CID 60717010) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
PubChem CID60717010
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
SMILESCC(=O)c1csc(NC(=O)CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O2S/c1-9(16)11-8-18-13(14-11)15-12(17)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,15,17)
InChIKeyFNWIJZJJBLPGLJ-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide (CID 60717010) is N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide is CC(=O)c1csc(NC(=O)CC2CCCCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The InChIKey is FNWIJZJJBLPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(16)11-8-18-13(14-11)15-12(17)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide has a molecular weight of 266.37 g/mol, XLogP of 3.25, 4 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)-2-cyclohexylacetamide is sourced from PubChem (CID 60717010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).