(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C12H9ClN2OS — CID 692477

IUPAC(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H9ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-8H,(H,14,15,16)/b6-3+
InChIKeyZKCTVUIHLQBAJW-ZZXKWVIFSA-N
MW264.74 g/mol
LogP3.45
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 692477) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID692477
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H9ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-8H,(H,14,15,16)/b6-3+
InChIKeyZKCTVUIHLQBAJW-ZZXKWVIFSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 692477) is (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ZKCTVUIHLQBAJW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-10-4-1-9(2-5-10)3-6-11(16)15-12-14-7-8-17-12/h1-8H,(H,14,15,16)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 264.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 692477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).