4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole

C13H14FNS2 — CID 78850530

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C13H14FNS2/c1-2-5-13-15-10(9-17-13)8-16-12-7-4-3-6-11(12)14/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyJDTGFHAYEOKBSQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.53
Rot. Bonds5

About 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole

4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole (PubChem CID 78850530) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
PubChem CID78850530
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C13H14FNS2/c1-2-5-13-15-10(9-17-13)8-16-12-7-4-3-6-11(12)14/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyJDTGFHAYEOKBSQ-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-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 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole (CID 78850530) is 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole is CCCc1nc(CSc2ccccc2F)cs1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
The InChIKey is JDTGFHAYEOKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c1-2-5-13-15-10(9-17-13)8-16-12-7-4-3-6-11(12)14/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole?
4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole has a molecular weight of 267.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfanylmethyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 78850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).