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

C19H14N2OS — CID 118389687

IUPACN-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide
SMILESC#CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H14N2OS/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/h1,3-12,14H,13H2/b20-19-
InChIKeyUDMUHZPPJGQRAQ-VXPUYCOJSA-N
MW318.40 g/mol
LogP3.59
Rot. Bonds3

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

N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 118389687) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID118389687
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC NameN-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide
SMILESC#CCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H14N2OS/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/h1,3-12,14H,13H2/b20-19-
InChIKeyUDMUHZPPJGQRAQ-VXPUYCOJSA-N
XLogP3.59
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide (CID 118389687) is N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(4-phenyl-3-prop-2-ynyl-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-ynyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is UDMUHZPPJGQRAQ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H14N2OS/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/h1,3-12,14H,13H2/b20-19-.
What are the key properties of N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide?
N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.59, 3 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-ynyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 118389687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).