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

C3HClFNS — CID 45121780

IUPAC4-chloro-2-fluoro-1,3-thiazole
SMILESFc1nc(Cl)cs1
InChIInChI=1S/C3HClFNS/c4-2-1-7-3(5)6-2/h1H
InChIKeyRFTBSLJGUKLVJF-UHFFFAOYSA-N
MW137.57 g/mol
LogP1.94
Rot. Bonds

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

4-chloro-2-fluoro-1,3-thiazole (PubChem CID 45121780) has the molecular formula C3HClFNS and a molecular weight of 137.57 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-fluoro-1,3-thiazole
PubChem CID45121780
Molecular FormulaC3HClFNS
Molecular Weight137.57 g/mol
Exact Mass136.95
IUPAC Name4-chloro-2-fluoro-1,3-thiazole
SMILESFc1nc(Cl)cs1
InChIInChI=1S/C3HClFNS/c4-2-1-7-3(5)6-2/h1H
InChIKeyRFTBSLJGUKLVJF-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 4-chloro-2-fluoro-1,3-thiazole?
The IUPAC name of 4-chloro-2-fluoro-1,3-thiazole (CID 45121780) is 4-chloro-2-fluoro-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-fluoro-1,3-thiazole?
The canonical SMILES for 4-chloro-2-fluoro-1,3-thiazole is Fc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-fluoro-1,3-thiazole?
The InChIKey is RFTBSLJGUKLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClFNS/c4-2-1-7-3(5)6-2/h1H.
What are the key properties of 4-chloro-2-fluoro-1,3-thiazole?
4-chloro-2-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 4-chloro-2-fluoro-1,3-thiazole is sourced from PubChem (CID 45121780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).