(2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol

C8H6ClNOS2 — CID 130606658

IUPAC(2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1ccsc1Cl
InChIInChI=1S/C8H6ClNOS2/c9-8-5(1-3-12-8)7(11)6-2-4-13-10-6/h1-4,7,11H
InChIKeyGVEPEBQMWXLRPE-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.94
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol

(2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130606658) has the molecular formula C8H6ClNOS2 and a molecular weight of 231.73 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID130606658
Molecular FormulaC8H6ClNOS2
Molecular Weight231.73 g/mol
Exact Mass230.96
IUPAC Name(2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)c1ccsc1Cl
InChIInChI=1S/C8H6ClNOS2/c9-8-5(1-3-12-8)7(11)6-2-4-13-10-6/h1-4,7,11H
InChIKeyGVEPEBQMWXLRPE-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

1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
(5-Chlorothiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130619430
1-(2-Chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol
CID 130624243
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
(2-Chlorothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130917854
(4-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131033823
(5-Iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131122860

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol (CID 130606658) is (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is GVEPEBQMWXLRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS2/c9-8-5(1-3-12-8)7(11)6-2-4-13-10-6/h1-4,7,11H.
What are the key properties of (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
(2-chlorothiophen-3-yl)-(1,2-thiazol-3-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 (2-chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130606658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).