4-(2,4-difluorophenyl)-1,3-thiazole

C9H5F2NS — CID 10750658

IUPAC4-(2,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2cscn2)c(F)c1
InChIInChI=1S/C9H5F2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyPAQMVZNJKDEHGV-UHFFFAOYSA-N
MW197.21 g/mol
LogP3.09
Rot. Bonds1

About 4-(2,4-difluorophenyl)-1,3-thiazole

4-(2,4-difluorophenyl)-1,3-thiazole (PubChem CID 10750658) has the molecular formula C9H5F2NS and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1,3-thiazole
PubChem CID10750658
Molecular FormulaC9H5F2NS
Molecular Weight197.21 g/mol
Exact Mass197.01
IUPAC Name4-(2,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2cscn2)c(F)c1
InChIInChI=1S/C9H5F2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyPAQMVZNJKDEHGV-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(2,4-difluorophenyl)-1,3-thiazole (CID 10750658) is 4-(2,4-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-1,3-thiazole is Fc1ccc(-c2cscn2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1,3-thiazole?
The InChIKey is PAQMVZNJKDEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NS/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(2,4-difluorophenyl)-1,3-thiazole?
4-(2,4-difluorophenyl)-1,3-thiazole has a molecular weight of 197.21 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 10750658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).