2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole

C11H11NS2 — CID 162408834

IUPAC2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESC=C(SC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11NS2/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6H,1,7-8H2
InChIKeyXSXRVGRXFYALAT-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.49
Rot. Bonds2

About 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 162408834) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID162408834
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESC=C(SC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11NS2/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6H,1,7-8H2
InChIKeyXSXRVGRXFYALAT-UHFFFAOYSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole 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 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 162408834) is 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole is C=C(SC1=NCCS1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is XSXRVGRXFYALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6H,1,7-8H2.
What are the key properties of 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 221.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 162408834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).