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

C12H16N2O2S — CID 4827577

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCC2)nc1C
InChIInChI=1S/C12H16N2O2S/c1-7-10(8(2)15)17-12(13-7)14-11(16)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGUKHFAPPNNOSHR-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.78
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (PubChem CID 4827577) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
PubChem CID4827577
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCC2)nc1C
InChIInChI=1S/C12H16N2O2S/c1-7-10(8(2)15)17-12(13-7)14-11(16)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGUKHFAPPNNOSHR-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.78
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)cyclopentanecarboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (CID 4827577) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is CC(=O)c1sc(NC(=O)C2CCCC2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is GUKHFAPPNNOSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7-10(8(2)15)17-12(13-7)14-11(16)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.78, 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)cyclopentanecarboxamide is sourced from PubChem (CID 4827577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).