3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C12H12N2OS — CID 567867

IUPAC3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,14,15)
InChIKeyZKZXZGXDSQTZDR-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.71
Rot. Bonds4

About 3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 567867) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID567867
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,14,15)
InChIKeyZKZXZGXDSQTZDR-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 567867) is 3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nccs1.
What is the InChIKey of 3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZKZXZGXDSQTZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,14,15).
What are the key properties of 3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 232.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).