2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol

C12H12N4OS2 — CID 55067282

IUPAC2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H12N4OS2/c17-3-1-10-5-16(15-14-10)6-11-8-19-12(13-11)9-2-4-18-7-9/h2,4-5,7-8,17H,1,3,6H2
InChIKeyZTIQCCWTOMQODP-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.05
Rot. Bonds5

About 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol

2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol (PubChem CID 55067282) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
PubChem CID55067282
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H12N4OS2/c17-3-1-10-5-16(15-14-10)6-11-8-19-12(13-11)9-2-4-18-7-9/h2,4-5,7-8,17H,1,3,6H2
InChIKeyZTIQCCWTOMQODP-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol (CID 55067282) is 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is ZTIQCCWTOMQODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c17-3-1-10-5-16(15-14-10)6-11-8-19-12(13-11)9-2-4-18-7-9/h2,4-5,7-8,17H,1,3,6H2.
What are the key properties of 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 292.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55067282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).