1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

C10H9N5O4S — CID 62059751

IUPAC1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESNC(=O)c1ccsc1NC(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C10H9N5O4S/c11-8(17)5-1-2-20-9(5)12-7(16)4-15-3-6(10(18)19)13-14-15/h1-3H,4H2,(H2,11,17)(H,12,16)(H,18,19)
InChIKeyAJPZPFYHGSRWLN-UHFFFAOYSA-N
MW295.28 g/mol
LogP-0.22
Rot. Bonds5

About 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 62059751) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID62059751
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESNC(=O)c1ccsc1NC(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C10H9N5O4S/c11-8(17)5-1-2-20-9(5)12-7(16)4-15-3-6(10(18)19)13-14-15/h1-3H,4H2,(H2,11,17)(H,12,16)(H,18,19)
InChIKeyAJPZPFYHGSRWLN-UHFFFAOYSA-N
XLogP-0.22
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (CID 62059751) is 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is NC(=O)c1ccsc1NC(=O)Cn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is AJPZPFYHGSRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c11-8(17)5-1-2-20-9(5)12-7(16)4-15-3-6(10(18)19)13-14-15/h1-3H,4H2,(H2,11,17)(H,12,16)(H,18,19).
What are the key properties of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62059751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).