N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide

C9H10N4OS — CID 103716265

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)c1ncn[nH]1
InChIInChI=1S/C9H10N4OS/c1-6(8-10-5-11-13-8)12-9(14)7-2-3-15-4-7/h2-6H,1H3,(H,12,14)(H,10,11,13)
InChIKeyFEKLSEJVGMFJMG-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.36
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide (PubChem CID 103716265) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
PubChem CID103716265
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)c1ncn[nH]1
InChIInChI=1S/C9H10N4OS/c1-6(8-10-5-11-13-8)12-9(14)7-2-3-15-4-7/h2-6H,1H3,(H,12,14)(H,10,11,13)
InChIKeyFEKLSEJVGMFJMG-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725984
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 103726002
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
2-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716446
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide (CID 103716265) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1ccsc1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is FEKLSEJVGMFJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6(8-10-5-11-13-8)12-9(14)7-2-3-15-4-7/h2-6H,1H3,(H,12,14)(H,10,11,13).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 103716265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).