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

C13H11NOS2 — CID 79823876

IUPAC1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1csc2ccccc12
InChIInChI=1S/C13H11NOS2/c15-11(7-13-14-5-6-16-13)10-8-17-12-4-2-1-3-9(10)12/h1-6,8,11,15H,7H2
InChIKeyVRQBGNZMNMRFGT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.63
Rot. Bonds3

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

1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 79823876) has the molecular formula C13H11NOS2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID79823876
Molecular FormulaC13H11NOS2
Molecular Weight261.37 g/mol
Exact Mass261.03
IUPAC Name1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)c1csc2ccccc12
InChIInChI=1S/C13H11NOS2/c15-11(7-13-14-5-6-16-13)10-8-17-12-4-2-1-3-9(10)12/h1-6,8,11,15H,7H2
InChIKeyVRQBGNZMNMRFGT-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739397
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
3-(1-benzothiophen-3-yl)-3-hydroxypropanal
CID 114795243
1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825091
1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63893599
1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
CID 65148709
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 79823876) is 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol is OC(Cc1nccs1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is VRQBGNZMNMRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS2/c15-11(7-13-14-5-6-16-13)10-8-17-12-4-2-1-3-9(10)12/h1-6,8,11,15H,7H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 261.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 79823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).