[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol

C11H9ClFNOS — CID 122477100

IUPAC[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2ccc(Cl)cc2F)nc1CO
InChIInChI=1S/C11H9ClFNOS/c1-6-10(5-15)14-11(16-6)8-3-2-7(12)4-9(8)13/h2-4,15H,5H2,1H3
InChIKeyNEAQAWKWDASFIK-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.40
Rot. Bonds2

About [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol

[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol (PubChem CID 122477100) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
PubChem CID122477100
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2ccc(Cl)cc2F)nc1CO
InChIInChI=1S/C11H9ClFNOS/c1-6-10(5-15)14-11(16-6)8-3-2-7(12)4-9(8)13/h2-4,15H,5H2,1H3
InChIKeyNEAQAWKWDASFIK-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol (CID 122477100) is [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol is Cc1sc(-c2ccc(Cl)cc2F)nc1CO.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
The InChIKey is NEAQAWKWDASFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-6-10(5-15)14-11(16-6)8-3-2-7(12)4-9(8)13/h2-4,15H,5H2,1H3.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol?
[2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 122477100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).