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

C19H16N2OS — CID 3530306

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N2OS/c1-2-12-20-18(22)15-8-10-16(11-9-15)19-21-17(13-23-19)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,20,22)
InChIKeyIQEYRZRUHRUFEW-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.39
Rot. Bonds5

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

4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 3530306) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID3530306
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N2OS/c1-2-12-20-18(22)15-8-10-16(11-9-15)19-21-17(13-23-19)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,20,22)
InChIKeyIQEYRZRUHRUFEW-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 3530306) is 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is IQEYRZRUHRUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-2-12-20-18(22)15-8-10-16(11-9-15)19-21-17(13-23-19)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,20,22).
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 320.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 3530306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).