(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one

C14H11NOS — CID 10800145

IUPAC(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cncs2)CCc2ccccc21
InChIInChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2/b11-7+
InChIKeySKXWCPVLXHAWNA-YRNVUSSQSA-N
MW241.32 g/mol
LogP3.36
Rot. Bonds1

About (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 10800145) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID10800145
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cncs2)CCc2ccccc21
InChIInChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2/b11-7+
InChIKeySKXWCPVLXHAWNA-YRNVUSSQSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one 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 (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 10800145) is (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2cncs2)CCc2ccccc21.
What is the InChIKey of (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is SKXWCPVLXHAWNA-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2/b11-7+.
What are the key properties of (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 241.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10800145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).