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

C10H7ClFNOS — CID 155462161

IUPAC2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H7ClFNOS/c1-6-5-13-10(15-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyZKCMEPHSAJCINB-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.04
Rot. Bonds2

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

2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole (PubChem CID 155462161) has the molecular formula C10H7ClFNOS and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole
PubChem CID155462161
Molecular FormulaC10H7ClFNOS
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H7ClFNOS/c1-6-5-13-10(15-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyZKCMEPHSAJCINB-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole (CID 155462161) is 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole is Cc1cnc(Oc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole?
The InChIKey is ZKCMEPHSAJCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNOS/c1-6-5-13-10(15-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole?
2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole has a molecular weight of 243.69 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-5-methyl-1,3-thiazole is sourced from PubChem (CID 155462161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).