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

C9H6ClFN2S — CID 79719140

IUPAC4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(CCl)cs2)nc1
InChIInChI=1S/C9H6ClFN2S/c10-3-7-5-14-9(13-7)8-2-1-6(11)4-12-8/h1-2,4-5H,3H2
InChIKeyCPRXLRZUPTZOFQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.08
Rot. Bonds2

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

4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole (PubChem CID 79719140) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
PubChem CID79719140
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(CCl)cs2)nc1
InChIInChI=1S/C9H6ClFN2S/c10-3-7-5-14-9(13-7)8-2-1-6(11)4-12-8/h1-2,4-5H,3H2
InChIKeyCPRXLRZUPTZOFQ-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole (CID 79719140) is 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole is Fc1ccc(-c2nc(CCl)cs2)nc1.
What is the InChIKey of 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The InChIKey is CPRXLRZUPTZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c10-3-7-5-14-9(13-7)8-2-1-6(11)4-12-8/h1-2,4-5H,3H2.
What are the key properties of 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole?
4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole has a molecular weight of 228.68 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 79719140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).