5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

C10H10N4O3S — CID 106283538

IUPAC5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1ncn[nH]1
InChIInChI=1S/C10H10N4O3S/c1-5(8-11-4-12-14-8)13-9(15)6-2-3-7(18-6)10(16)17/h2-5H,1H3,(H,13,15)(H,16,17)(H,11,12,14)
InChIKeyQXFKSSJEPVZZHX-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.06
Rot. Bonds4

About 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid

5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 106283538) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID106283538
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1ncn[nH]1
InChIInChI=1S/C10H10N4O3S/c1-5(8-11-4-12-14-8)13-9(15)6-2-3-7(18-6)10(16)17/h2-5H,1H3,(H,13,15)(H,16,17)(H,11,12,14)
InChIKeyQXFKSSJEPVZZHX-UHFFFAOYSA-N
XLogP1.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103716600
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
5-(5-methylhexan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 60721960
5-(hydrazinecarbonyl)-N-[1-(1H-pyrazol-5-yl)ethyl]thiophene-2-carboxamide
CID 67087165
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 106283109

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid (CID 106283538) is 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)s1)c1ncn[nH]1.
What is the InChIKey of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is QXFKSSJEPVZZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-5(8-11-4-12-14-8)13-9(15)6-2-3-7(18-6)10(16)17/h2-5H,1H3,(H,13,15)(H,16,17)(H,11,12,14).
What are the key properties of 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106283538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).