(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide

C12H12N2OS — CID 924652

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1=NCCS1
InChIInChI=1S/C12H12N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)/b7-6+
InChIKeySLIMEDXLIOBFBM-VOTSOKGWSA-N
MW232.31 g/mol
LogP1.92
Rot. Bonds2

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 924652) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID924652
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1=NCCS1
InChIInChI=1S/C12H12N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)/b7-6+
InChIKeySLIMEDXLIOBFBM-VOTSOKGWSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.92
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)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (CID 924652) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1=NCCS1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is SLIMEDXLIOBFBM-VOTSOKGWSA-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/h1-7H,8-9H2,(H,13,14,15)/b7-6+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 232.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 924652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).