2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid

C10H10N4O3S — CID 66288328

IUPAC2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2cccs2)nn1
InChIInChI=1S/C10H10N4O3S/c15-9(16)6-14-5-8(12-13-14)10(17)11-4-7-2-1-3-18-7/h1-3,5H,4,6H2,(H,11,17)(H,15,16)
InChIKeyGASLHYNRRUSPLM-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.35
Rot. Bonds5

About 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid

2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid (PubChem CID 66288328) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
PubChem CID66288328
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2cccs2)nn1
InChIInChI=1S/C10H10N4O3S/c15-9(16)6-14-5-8(12-13-14)10(17)11-4-7-2-1-3-18-7/h1-3,5H,4,6H2,(H,11,17)(H,15,16)
InChIKeyGASLHYNRRUSPLM-UHFFFAOYSA-N
XLogP0.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 106005740
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290029
6-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]hexanoic acid
CID 119219901
2-[4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 79488944
2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
2-[4-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457665
1-[2-[[(1R)-cyclohex-3-en-1-yl]methylamino]ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 25291014
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42274035
2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288972
N-[3-(methylamino)propyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119429941
2-[4-(1H-pyrazol-4-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66289594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid (CID 66288328) is 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NCc2cccs2)nn1.
What is the InChIKey of 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The InChIKey is GASLHYNRRUSPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-9(16)6-14-5-8(12-13-14)10(17)11-4-7-2-1-3-18-7/h1-3,5H,4,6H2,(H,11,17)(H,15,16).
What are the key properties of 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66288328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).