N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C13H18N2O2S — CID 790244

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCCC2)nc1C
InChIInChI=1S/C13H18N2O2S/c1-8-11(9(2)16)18-13(14-8)15-12(17)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyPRWBUGYXYYIBKG-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.17
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 790244) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID790244
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCCC2)nc1C
InChIInChI=1S/C13H18N2O2S/c1-8-11(9(2)16)18-13(14-8)15-12(17)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyPRWBUGYXYYIBKG-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 790244) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is CC(=O)c1sc(NC(=O)C2CCCCC2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is PRWBUGYXYYIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-11(9(2)16)18-13(14-8)15-12(17)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 266.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 790244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).