2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol

C10H14N4OS — CID 66268265

IUPAC2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2cccs2)nn1
InChIInChI=1S/C10H14N4OS/c15-4-3-14-8-9(12-13-14)6-11-7-10-2-1-5-16-10/h1-2,5,8,11,15H,3-4,6-7H2
InChIKeySTFCEDQAAYOUIV-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268265) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268265
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2cccs2)nn1
InChIInChI=1S/C10H14N4OS/c15-4-3-14-8-9(12-13-14)6-11-7-10-2-1-5-16-10/h1-2,5,8,11,15H,3-4,6-7H2
InChIKeySTFCEDQAAYOUIV-UHFFFAOYSA-N
XLogP0.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
4-[4-[(Z)-2-thiophen-2-ylethenyl]triazol-1-yl]butan-1-ol
CID 168295925
2-(4-{[(5-fluorothiophen-2-yl)methyl]amino}-1H-pyrazol-1-yl)ethan-1-ol
CID 122165753
2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide
CID 126816904
4-(Methylsulfanylmethyl)-1-(1-thiophen-2-ylethyl)triazole
CID 68514341
4-(Methylsulfanylmethyl)-1-(thiophen-2-ylmethyl)triazole
CID 68518939
4-Butyl-1-(thiophen-2-ylmethyl)triazole
CID 174712957
1-(4-Aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 43527223
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55029616
2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 55067183
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
CID 55073989

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol (CID 66268265) is 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNCc2cccs2)nn1.
What is the InChIKey of 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is STFCEDQAAYOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-4-3-14-8-9(12-13-14)6-11-7-10-2-1-5-16-10/h1-2,5,8,11,15H,3-4,6-7H2.
What are the key properties of 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 238.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-2-ylmethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).