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

C13H20N4OS — CID 66269132

IUPAC3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(Cc1ccsc1)NCc1cn(CCCO)nn1
InChIInChI=1S/C13H20N4OS/c1-11(7-12-3-6-19-10-12)14-8-13-9-17(16-15-13)4-2-5-18/h3,6,9-11,14,18H,2,4-5,7-8H2,1H3
InChIKeyKVGNSWIZCBYUIS-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.44
Rot. Bonds8

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

3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269132) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66269132
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(Cc1ccsc1)NCc1cn(CCCO)nn1
InChIInChI=1S/C13H20N4OS/c1-11(7-12-3-6-19-10-12)14-8-13-9-17(16-15-13)4-2-5-18/h3,6,9-11,14,18H,2,4-5,7-8H2,1H3
InChIKeyKVGNSWIZCBYUIS-UHFFFAOYSA-N
XLogP1.44
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol (CID 66269132) is 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is CC(Cc1ccsc1)NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is KVGNSWIZCBYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-11(7-12-3-6-19-10-12)14-8-13-9-17(16-15-13)4-2-5-18/h3,6,9-11,14,18H,2,4-5,7-8H2,1H3.
What are the key properties of 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).