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

C16H15N5O2S — CID 46963206

IUPAC5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)n[nH]2)cs1
InChIInChI=1S/C16H15N5O2S/c1-9(18-16(23)12-6-13(10(2)22)24-8-12)14-19-15(21-20-14)11-4-3-5-17-7-11/h3-9H,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyOUDLENIVSCVWEG-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.62
Rot. Bonds5

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

5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide (PubChem CID 46963206) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
PubChem CID46963206
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)n[nH]2)cs1
InChIInChI=1S/C16H15N5O2S/c1-9(18-16(23)12-6-13(10(2)22)24-8-12)14-19-15(21-20-14)11-4-3-5-17-7-11/h3-9H,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyOUDLENIVSCVWEG-UHFFFAOYSA-N
XLogP2.62
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide with MolForge

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Related Compounds

6,7-dimethyl-4-oxo-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
CID 16673481
N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 51493984
1-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43817788
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
(2S)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 97114136
2-chloro-N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
CID 7451540
3-[5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 50956809
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
3-[5-[1-(3-chlorophenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 50985030
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide (CID 46963206) is 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NC(C)c2nc(-c3cccnc3)n[nH]2)cs1.
What is the InChIKey of 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is OUDLENIVSCVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9(18-16(23)12-6-13(10(2)22)24-8-12)14-19-15(21-20-14)11-4-3-5-17-7-11/h3-9H,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide?
5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 46963206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).