4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole

C9H6ClFN2S — CID 118370294

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H6ClFN2S/c1-5-8(10)13-9(14-5)6-2-7(11)4-12-3-6/h2-4H,1H3
InChIKeyYIFHHTJQKLKYIF-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.31
Rot. Bonds1

About 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole

4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole (PubChem CID 118370294) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole
PubChem CID118370294
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H6ClFN2S/c1-5-8(10)13-9(14-5)6-2-7(11)4-12-3-6/h2-4H,1H3
InChIKeyYIFHHTJQKLKYIF-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole (CID 118370294) is 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole is Cc1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole?
The InChIKey is YIFHHTJQKLKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c1-5-8(10)13-9(14-5)6-2-7(11)4-12-3-6/h2-4H,1H3.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole?
4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole has a molecular weight of 228.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 118370294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).