1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol

C9H9NOS2 — CID 67759146

IUPAC1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1nccs1
InChIInChI=1S/C9H9NOS2/c11-8(9-10-2-4-13-9)5-7-1-3-12-6-7/h1-4,6,8,11H,5H2
InChIKeyFFKNDJAJDJLYFQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.48
Rot. Bonds3

About 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol

1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol (PubChem CID 67759146) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
PubChem CID67759146
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1nccs1
InChIInChI=1S/C9H9NOS2/c11-8(9-10-2-4-13-9)5-7-1-3-12-6-7/h1-4,6,8,11H,5H2
InChIKeyFFKNDJAJDJLYFQ-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol (CID 67759146) is 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol?
The InChIKey is FFKNDJAJDJLYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c11-8(9-10-2-4-13-9)5-7-1-3-12-6-7/h1-4,6,8,11H,5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol?
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol has a molecular weight of 211.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 67759146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).