2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid

C11H12N4O3S — CID 66289790

IUPAC2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(Cc1ccsc1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C11H12N4O3S/c1-14(4-8-2-3-19-7-8)11(18)9-5-15(13-12-9)6-10(16)17/h2-3,5,7H,4,6H2,1H3,(H,16,17)
InChIKeyVEDZPNINUCAGKR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66289790) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66289790
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(Cc1ccsc1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C11H12N4O3S/c1-14(4-8-2-3-19-7-8)11(18)9-5-15(13-12-9)6-10(16)17/h2-3,5,7H,4,6H2,1H3,(H,16,17)
InChIKeyVEDZPNINUCAGKR-UHFFFAOYSA-N
XLogP0.70
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid 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-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289613
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55067141
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
2-[4-[methyl(pentyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288728
2-[4-[methyl(3-methylsulfanylpropyl)carbamoyl]triazol-1-yl]acetic acid
CID 114238096
2-(4-thiophen-3-yltriazol-1-yl)acetic acid
CID 91972722
2-[4-(4-aminobutyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 106209265
2-[4-[methyl(2-propan-2-yloxyethyl)carbamoyl]triazol-1-yl]acetic acid
CID 81062076
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid (CID 66289790) is 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid is CN(Cc1ccsc1)C(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is VEDZPNINUCAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-14(4-8-2-3-19-7-8)11(18)9-5-15(13-12-9)6-10(16)17/h2-3,5,7H,4,6H2,1H3,(H,16,17).
What are the key properties of 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).