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

C9H8ClNOS2 — CID 115822545

IUPAC1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1sccc1Cl
InChIInChI=1S/C9H8ClNOS2/c10-6-1-3-14-9(6)7(12)5-8-11-2-4-13-8/h1-4,7,12H,5H2
InChIKeyWLFXCLZYVZXCGA-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.13
Rot. Bonds3

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

1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 115822545) has the molecular formula C9H8ClNOS2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID115822545
Molecular FormulaC9H8ClNOS2
Molecular Weight245.76 g/mol
Exact Mass244.97
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1sccc1Cl
InChIInChI=1S/C9H8ClNOS2/c10-6-1-3-14-9(6)7(12)5-8-11-2-4-13-8/h1-4,7,12H,5H2
InChIKeyWLFXCLZYVZXCGA-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 80530275
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanol
CID 115830332
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
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3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 107361951
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 113397524
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 115822545) is 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol is OC(Cc1nccs1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is WLFXCLZYVZXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS2/c10-6-1-3-14-9(6)7(12)5-8-11-2-4-13-8/h1-4,7,12H,5H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 245.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115822545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).