2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol

C12H18N4OS — CID 66269447

IUPAC2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCC(Cc1ccsc1)NCc1cn(CCO)nn1
InChIInChI=1S/C12H18N4OS/c1-10(6-11-2-5-18-9-11)13-7-12-8-16(3-4-17)15-14-12/h2,5,8-10,13,17H,3-4,6-7H2,1H3
InChIKeyZAFJYBIOQRCUSR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.05
Rot. Bonds7

About 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol

2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66269447) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol
PubChem CID66269447
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol
SMILESCC(Cc1ccsc1)NCc1cn(CCO)nn1
InChIInChI=1S/C12H18N4OS/c1-10(6-11-2-5-18-9-11)13-7-12-8-16(3-4-17)15-14-12/h2,5,8-10,13,17H,3-4,6-7H2,1H3
InChIKeyZAFJYBIOQRCUSR-UHFFFAOYSA-N
XLogP1.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol (CID 66269447) is 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol is CC(Cc1ccsc1)NCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is ZAFJYBIOQRCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10(6-11-2-5-18-9-11)13-7-12-8-16(3-4-17)15-14-12/h2,5,8-10,13,17H,3-4,6-7H2,1H3.
What are the key properties of 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 266.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).