[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate

C11H8FNO2S — CID 91175833

IUPAC[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate
SMILESO=COCc1ncsc1-c1ccccc1F
InChIInChI=1S/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-10(5-15-7-14)13-6-16-11/h1-4,6-7H,5H2
InChIKeyCDEBDAABCMCTQT-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.62
Rot. Bonds4

About [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate

[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate (PubChem CID 91175833) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate
PubChem CID91175833
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate
SMILESO=COCc1ncsc1-c1ccccc1F
InChIInChI=1S/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-10(5-15-7-14)13-6-16-11/h1-4,6-7H,5H2
InChIKeyCDEBDAABCMCTQT-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate 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 [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate?
The IUPAC name of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate (CID 91175833) is [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate?
The canonical SMILES for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate is O=COCc1ncsc1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate?
The InChIKey is CDEBDAABCMCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-10(5-15-7-14)13-6-16-11/h1-4,6-7H,5H2.
What are the key properties of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate?
[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate has a molecular weight of 237.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl formate is sourced from PubChem (CID 91175833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).