[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol

C8H6ClNOS2 — CID 79427563

IUPAC[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(Cl)cs2)s1
InChIInChI=1S/C8H6ClNOS2/c9-5-1-7(12-4-5)8-10-2-6(3-11)13-8/h1-2,4,11H,3H2
InChIKeyADRDKNYFLHPSRU-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.02
Rot. Bonds2

About [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol

[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 79427563) has the molecular formula C8H6ClNOS2 and a molecular weight of 231.73 g/mol. Its IUPAC name is [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID79427563
Molecular FormulaC8H6ClNOS2
Molecular Weight231.73 g/mol
Exact Mass230.96
IUPAC Name[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(Cl)cs2)s1
InChIInChI=1S/C8H6ClNOS2/c9-5-1-7(12-4-5)8-10-2-6(3-11)13-8/h1-2,4,11H,3H2
InChIKeyADRDKNYFLHPSRU-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol (CID 79427563) is [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2cc(Cl)cs2)s1.
What is the InChIKey of [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ADRDKNYFLHPSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS2/c9-5-1-7(12-4-5)8-10-2-6(3-11)13-8/h1-2,4,11H,3H2.
What are the key properties of [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 231.73 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79427563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).