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

C10H7ClFNS — CID 167503919

IUPAC5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H7ClFNS/c1-6-13-5-10(14-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3
InChIKeyHJYLZKYZYXRVAH-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.91
Rot. Bonds1

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

5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole (PubChem CID 167503919) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole
PubChem CID167503919
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H7ClFNS/c1-6-13-5-10(14-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3
InChIKeyHJYLZKYZYXRVAH-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 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole (CID 167503919) is 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole is Cc1ncc(-c2ccc(Cl)cc2F)s1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is HJYLZKYZYXRVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c1-6-13-5-10(14-6)8-3-2-7(11)4-9(8)12/h2-5H,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole?
5-(4-chloro-2-fluorophenyl)-2-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 5-(4-chloro-2-fluorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 167503919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).