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

C19H18N2OS — CID 102273912

IUPACN-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H18N2OS/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/h3-12,14H,2,13H2,1H3/b20-19-
InChIKeyNLALTRHZLVKBCF-VXPUYCOJSA-N
MW322.43 g/mol
LogP4.37
Rot. Bonds4

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

N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 102273912) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID102273912
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C19H18N2OS/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/h3-12,14H,2,13H2,1H3/b20-19-
InChIKeyNLALTRHZLVKBCF-VXPUYCOJSA-N
XLogP4.37
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide (CID 102273912) is N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide is CCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is NLALTRHZLVKBCF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS/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/h3-12,14H,2,13H2,1H3/b20-19-.
What are the key properties of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?
N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.37, 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-propyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 102273912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).