N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide

C19H16N2OS — CID 118389733

IUPACN-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-2-13-21-17(15-9-5-3-6-10-15)14-23-19(21)20-18(22)16-11-7-4-8-12-16/h2-12,14H,1,13H2/b20-19-
InChIKeyUPJOAIKVQJHENB-VXPUYCOJSA-N
MW320.42 g/mol
LogP4.14
Rot. Bonds4

About N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide

N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 118389733) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID118389733
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-2-13-21-17(15-9-5-3-6-10-15)14-23-19(21)20-18(22)16-11-7-4-8-12-16/h2-12,14H,1,13H2/b20-19-
InChIKeyUPJOAIKVQJHENB-VXPUYCOJSA-N
XLogP4.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide (CID 118389733) is N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide is C=CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is UPJOAIKVQJHENB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-2-13-21-17(15-9-5-3-6-10-15)14-23-19(21)20-18(22)16-11-7-4-8-12-16/h2-12,14H,1,13H2/b20-19-.
What are the key properties of N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide?
N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 320.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 118389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).