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

C8H6ClNOS2 — CID 130856980

IUPAC(4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cc(Cl)cs1)c1ccns1
InChIInChI=1S/C8H6ClNOS2/c9-5-3-7(12-4-5)8(11)6-1-2-10-13-6/h1-4,8,11H
InChIKeyRINSREUTYHPOGM-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.94
Rot. Bonds2

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

(4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130856980) has the molecular formula C8H6ClNOS2 and a molecular weight of 231.73 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID130856980
Molecular FormulaC8H6ClNOS2
Molecular Weight231.73 g/mol
Exact Mass230.96
IUPAC Name(4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cc(Cl)cs1)c1ccns1
InChIInChI=1S/C8H6ClNOS2/c9-5-3-7(12-4-5)8(11)6-1-2-10-13-6/h1-4,8,11H
InChIKeyRINSREUTYHPOGM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chlorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604815
(5-Chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130619430
1-(5-Chlorothiophen-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815297
(2-Chlorothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130917854
(4,5-Dimethylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 131172119

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol (CID 130856980) is (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol is OC(c1cc(Cl)cs1)c1ccns1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is RINSREUTYHPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS2/c9-5-3-7(12-4-5)8(11)6-1-2-10-13-6/h1-4,8,11H.
What are the key properties of (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol?
(4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 231.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130856980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).