N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide

C10H12N4O2S — CID 113258739

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)c1ccsc1
InChIInChI=1S/C10H12N4O2S/c15-9(8-1-4-17-7-8)5-11-10(16)6-14-3-2-12-13-14/h1-4,7,9,15H,5-6H2,(H,11,16)
InChIKeyHLIOCRWSBIBJEG-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.19
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide (PubChem CID 113258739) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
PubChem CID113258739
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)c1ccsc1
InChIInChI=1S/C10H12N4O2S/c15-9(8-1-4-17-7-8)5-11-10(16)6-14-3-2-12-13-14/h1-4,7,9,15H,5-6H2,(H,11,16)
InChIKeyHLIOCRWSBIBJEG-UHFFFAOYSA-N
XLogP0.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111441452
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide (CID 113258739) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is HLIOCRWSBIBJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-9(8-1-4-17-7-8)5-11-10(16)6-14-3-2-12-13-14/h1-4,7,9,15H,5-6H2,(H,11,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 113258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).