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

C8H6ClNOS2 — CID 62923955

IUPAC[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)5-4-12-8(3-11)10-5/h1-2,4,11H,3H2
InChIKeyNDOIKOAQCYEMDT-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.02
Rot. Bonds2

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

[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 62923955) has the molecular formula C8H6ClNOS2 and a molecular weight of 231.73 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol
PubChem CID62923955
Molecular FormulaC8H6ClNOS2
Molecular Weight231.73 g/mol
Exact Mass230.96
IUPAC Name[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)5-4-12-8(3-11)10-5/h1-2,4,11H,3H2
InChIKeyNDOIKOAQCYEMDT-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 [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol (CID 62923955) is [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is NDOIKOAQCYEMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS2/c9-7-2-1-6(13-7)5-4-12-8(3-11)10-5/h1-2,4,11H,3H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol?
[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-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 [4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 62923955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).