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

C14H11N3OS — CID 17412399

IUPAC(E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccccc2C#N)n1
InChIInChI=1S/C14H11N3OS/c1-10-9-19-14(16-10)17-13(18)7-6-11-4-2-3-5-12(11)8-15/h2-7,9H,1H3,(H,16,17,18)/b7-6+
InChIKeyARRFSNFBAIJKOQ-VOTSOKGWSA-N
MW269.33 g/mol
LogP2.98
Rot. Bonds3

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

(E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 17412399) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID17412399
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name(E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccccc2C#N)n1
InChIInChI=1S/C14H11N3OS/c1-10-9-19-14(16-10)17-13(18)7-6-11-4-2-3-5-12(11)8-15/h2-7,9H,1H3,(H,16,17,18)/b7-6+
InChIKeyARRFSNFBAIJKOQ-VOTSOKGWSA-N
XLogP2.98
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide 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 (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 17412399) is (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(NC(=O)/C=C/c2ccccc2C#N)n1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ARRFSNFBAIJKOQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-10-9-19-14(16-10)17-13(18)7-6-11-4-2-3-5-12(11)8-15/h2-7,9H,1H3,(H,16,17,18)/b7-6+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 269.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 17412399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).