2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol

C11H16N4OS — CID 62118090

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESCC(NCC(O)c1cccs1)c1nncn1C
InChIInChI=1S/C11H16N4OS/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3
InChIKeyZOLUXPVRYHCTIS-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 62118090) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
PubChem CID62118090
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESCC(NCC(O)c1cccs1)c1nncn1C
InChIInChI=1S/C11H16N4OS/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3
InChIKeyZOLUXPVRYHCTIS-UHFFFAOYSA-N
XLogP1.26
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63379059
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43783908
methyl 3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoate
CID 64560187
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 113429120
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol (CID 62118090) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol is CC(NCC(O)c1cccs1)c1nncn1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is ZOLUXPVRYHCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(11-14-13-7-15(11)2)12-6-9(16)10-4-3-5-17-10/h3-5,7-9,12,16H,6H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 252.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 62118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).