2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide

C12H15N3OS — CID 2447334

IUPAC2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C12H15N3OS/c13-7-6-11(16)15(12-14-8-9-17-12)10-4-2-1-3-5-10/h8-10H,1-6H2
InChIKeyXKOOOCKABUFYAR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.72
Rot. Bonds3

About 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide

2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2447334) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2447334
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C12H15N3OS/c13-7-6-11(16)15(12-14-8-9-17-12)10-4-2-1-3-5-10/h8-10H,1-6H2
InChIKeyXKOOOCKABUFYAR-UHFFFAOYSA-N
XLogP2.72
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide (CID 2447334) is 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide is N#CCC(=O)N(c1nccs1)C1CCCCC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XKOOOCKABUFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-7-6-11(16)15(12-14-8-9-17-12)10-4-2-1-3-5-10/h8-10H,1-6H2.
What are the key properties of 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide?
2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2447334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).