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

C18H14N2OS — CID 690181

IUPAC(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+
InChIKeyWOJRHCOBUKJCAJ-VAWYXSNFSA-N
MW306.39 g/mol
LogP4.46
Rot. Bonds4

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

(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 690181) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID690181
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+
InChIKeyWOJRHCOBUKJCAJ-VAWYXSNFSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.46
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-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 690181) is (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is WOJRHCOBUKJCAJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-17(12-11-14-7-3-1-4-8-14)20-18-19-16(13-22-18)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)/b12-11+.
What are the key properties of (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 306.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 690181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).