2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole

C10H7ClFNS — CID 59091723

IUPAC2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H7ClFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyNFOYZSMOZKBPKU-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.91
Rot. Bonds1

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

2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 59091723) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID59091723
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H7ClFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyNFOYZSMOZKBPKU-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole (CID 59091723) is 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1csc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is NFOYZSMOZKBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole?
2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 227.69 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 59091723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).