2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol

C11H16N4OS — CID 134702822

IUPAC2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
SMILESOCCN(CCn1cnnc1)Cc1cccs1
InChIInChI=1S/C11H16N4OS/c16-6-5-14(8-11-2-1-7-17-11)3-4-15-9-12-13-10-15/h1-2,7,9-10,16H,3-6,8H2
InChIKeySRIWITOHZSYDBY-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.83
Rot. Bonds7

About 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol

2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol (PubChem CID 134702822) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
PubChem CID134702822
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
SMILESOCCN(CCn1cnnc1)Cc1cccs1
InChIInChI=1S/C11H16N4OS/c16-6-5-14(8-11-2-1-7-17-11)3-4-15-9-12-13-10-15/h1-2,7,9-10,16H,3-6,8H2
InChIKeySRIWITOHZSYDBY-UHFFFAOYSA-N
XLogP0.83
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 131918159
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
2-[spiro[2.5]octan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanol
CID 45213635
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43818871
2-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 25479704

Frequently Asked Questions

What is the IUPAC name of 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol (CID 134702822) is 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol is OCCN(CCn1cnnc1)Cc1cccs1.
What is the InChIKey of 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol?
The InChIKey is SRIWITOHZSYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-6-5-14(8-11-2-1-7-17-11)3-4-15-9-12-13-10-15/h1-2,7,9-10,16H,3-6,8H2.
What are the key properties of 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol?
2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol has a molecular weight of 252.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol is sourced from PubChem (CID 134702822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).