2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C12H16N4O2S — CID 55067141

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C12H16N4O2S/c1-15(6-10-3-5-19-9-10)12(18)8-16-7-11(2-4-17)13-14-16/h3,5,7,9,17H,2,4,6,8H2,1H3
InChIKeyIQIPFDCLMQLRNS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.53
Rot. Bonds6

About 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 55067141) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID55067141
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C12H16N4O2S/c1-15(6-10-3-5-19-9-10)12(18)8-16-7-11(2-4-17)13-14-16/h3,5,7,9,17H,2,4,6,8H2,1H3
InChIKeyIQIPFDCLMQLRNS-UHFFFAOYSA-N
XLogP0.53
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-aminobutyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 106209265
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62402251
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
CID 62402252
2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289790
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 62400746
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 115459306
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 115459471
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 66216252
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9320325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 55067141) is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1cc(CCO)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is IQIPFDCLMQLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15(6-10-3-5-19-9-10)12(18)8-16-7-11(2-4-17)13-14-16/h3,5,7,9,17H,2,4,6,8H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 55067141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).