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

C10H7ClFNS — CID 90751675

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cc(Cl)ccc1Cc1nccs1
InChIInChI=1S/C10H7ClFNS/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2
InChIKeyGWPPPZVLGBLBKB-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.53
Rot. Bonds2

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

2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 90751675) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole
PubChem CID90751675
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cc(Cl)ccc1Cc1nccs1
InChIInChI=1S/C10H7ClFNS/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2
InChIKeyGWPPPZVLGBLBKB-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole (CID 90751675) is 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole is Fc1cc(Cl)ccc1Cc1nccs1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is GWPPPZVLGBLBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-8-2-1-7(9(12)6-8)5-10-13-3-4-14-10/h1-4,6H,5H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole?
2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 227.69 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 90751675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).