1,1-bis(1,2-thiazol-5-yl)ethanol

C8H8N2OS2 — CID 27282123

IUPAC1,1-bis(1,2-thiazol-5-yl)ethanol
SMILESCC(O)(c1ccns1)c1ccns1
InChIInChI=1S/C8H8N2OS2/c1-8(11,6-2-4-9-12-6)7-3-5-10-13-7/h2-5,11H,1H3
InChIKeyGWZPVYJVQHKOAC-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.86
Rot. Bonds2

About 1,1-bis(1,2-thiazol-5-yl)ethanol

1,1-bis(1,2-thiazol-5-yl)ethanol (PubChem CID 27282123) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1,1-bis(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1,1-bis(1,2-thiazol-5-yl)ethanol
PubChem CID27282123
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name1,1-bis(1,2-thiazol-5-yl)ethanol
SMILESCC(O)(c1ccns1)c1ccns1
InChIInChI=1S/C8H8N2OS2/c1-8(11,6-2-4-9-12-6)7-3-5-10-13-7/h2-5,11H,1H3
InChIKeyGWZPVYJVQHKOAC-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1,1-bis(1,2-thiazol-5-yl)ethanol (CID 27282123) is 1,1-bis(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1,1-bis(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1,1-bis(1,2-thiazol-5-yl)ethanol is CC(O)(c1ccns1)c1ccns1.
What is the InChIKey of 1,1-bis(1,2-thiazol-5-yl)ethanol?
The InChIKey is GWZPVYJVQHKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-8(11,6-2-4-9-12-6)7-3-5-10-13-7/h2-5,11H,1H3.
What are the key properties of 1,1-bis(1,2-thiazol-5-yl)ethanol?
1,1-bis(1,2-thiazol-5-yl)ethanol has a molecular weight of 212.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 27282123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).