[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol

C10H8ClNOS — CID 2726647

IUPAC[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-4,6,13H,5H2
InChIKeyUICGABWUJKMBEN-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.96
Rot. Bonds2

About [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 2726647) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol
PubChem CID2726647
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-4,6,13H,5H2
InChIKeyUICGABWUJKMBEN-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol (CID 2726647) is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is UICGABWUJKMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-4,6,13H,5H2.
What are the key properties of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol?
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 225.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 2726647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).