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

C10H7ClFNS — CID 116967860

IUPAC4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H7ClFNS/c1-6-13-10(5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyQPPNZYNMJOVQMA-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.91
Rot. Bonds1

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

4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole (PubChem CID 116967860) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
PubChem CID116967860
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H7ClFNS/c1-6-13-10(5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyQPPNZYNMJOVQMA-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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Related Compounds

3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
6-(3-chloro-4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403389
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole (CID 116967860) is 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is QPPNZYNMJOVQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c1-6-13-10(5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole?
4-(3-chloro-4-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 4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 116967860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).