2-chloro-4-fluoro-1,3-thiazole

C3HClFNS — CID 91284409

IUPAC2-chloro-4-fluoro-1,3-thiazole
SMILESFc1csc(Cl)n1
InChIInChI=1S/C3HClFNS/c4-3-6-2(5)1-7-3/h1H
InChIKeyYZEAFVBSCODJGJ-UHFFFAOYSA-N
MW137.57 g/mol
LogP1.94
Rot. Bonds

About 2-chloro-4-fluoro-1,3-thiazole

2-chloro-4-fluoro-1,3-thiazole (PubChem CID 91284409) has the molecular formula C3HClFNS and a molecular weight of 137.57 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-fluoro-1,3-thiazole
PubChem CID91284409
Molecular FormulaC3HClFNS
Molecular Weight137.57 g/mol
Exact Mass136.95
IUPAC Name2-chloro-4-fluoro-1,3-thiazole
SMILESFc1csc(Cl)n1
InChIInChI=1S/C3HClFNS/c4-3-6-2(5)1-7-3/h1H
InChIKeyYZEAFVBSCODJGJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1,3-thiazole?
The IUPAC name of 2-chloro-4-fluoro-1,3-thiazole (CID 91284409) is 2-chloro-4-fluoro-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-fluoro-1,3-thiazole?
The canonical SMILES for 2-chloro-4-fluoro-1,3-thiazole is Fc1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-fluoro-1,3-thiazole?
The InChIKey is YZEAFVBSCODJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClFNS/c4-3-6-2(5)1-7-3/h1H.
What are the key properties of 2-chloro-4-fluoro-1,3-thiazole?
2-chloro-4-fluoro-1,3-thiazole has a molecular weight of 137.57 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1,3-thiazole is sourced from PubChem (CID 91284409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).