N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide

C15H14N4O2S — CID 94938963

IUPACN-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(CO)c2-c2cccs2)c1
InChIInChI=1S/C15H14N4O2S/c1-10(21)16-11-4-2-5-12(8-11)19-15(13(9-20)17-18-19)14-6-3-7-22-14/h2-8,20H,9H2,1H3,(H,16,21)
InChIKeyIXWIKNKMLYWGOO-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.45
Rot. Bonds4

About N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide

N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide (PubChem CID 94938963) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
PubChem CID94938963
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(CO)c2-c2cccs2)c1
InChIInChI=1S/C15H14N4O2S/c1-10(21)16-11-4-2-5-12(8-11)19-15(13(9-20)17-18-19)14-6-3-7-22-14/h2-8,20H,9H2,1H3,(H,16,21)
InChIKeyIXWIKNKMLYWGOO-UHFFFAOYSA-N
XLogP2.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide 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

[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82200897
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 94962827
1-(3-methylphenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 50945152
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
CID 82199375
N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
CID 82199338
3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
CID 82199346
N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
CID 82199343

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide (CID 94938963) is N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnc(CO)c2-c2cccs2)c1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide?
The InChIKey is IXWIKNKMLYWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10(21)16-11-4-2-5-12(8-11)19-15(13(9-20)17-18-19)14-6-3-7-22-14/h2-8,20H,9H2,1H3,(H,16,21).
What are the key properties of N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide?
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 94938963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).