4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole

C10H7ClFNS — CID 83158562

IUPAC4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
SMILESCc1c(F)cccc1-c1nc(Cl)cs1
InChIInChI=1S/C10H7ClFNS/c1-6-7(3-2-4-8(6)12)10-13-9(11)5-14-10/h2-5H,1H3
InChIKeyDCVPIUNHBXKYEF-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.91
Rot. Bonds1

About 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole

4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole (PubChem CID 83158562) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
PubChem CID83158562
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
SMILESCc1c(F)cccc1-c1nc(Cl)cs1
InChIInChI=1S/C10H7ClFNS/c1-6-7(3-2-4-8(6)12)10-13-9(11)5-14-10/h2-5H,1H3
InChIKeyDCVPIUNHBXKYEF-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 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole (CID 83158562) is 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole is Cc1c(F)cccc1-c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole?
The InChIKey is DCVPIUNHBXKYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c1-6-7(3-2-4-8(6)12)10-13-9(11)5-14-10/h2-5H,1H3.
What are the key properties of 4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole?
4-chloro-2-(3-fluoro-2-methylphenyl)-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-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 83158562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).