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

C16H23N5OS2 — CID 45199086

IUPAC5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCCCN1CCCC1c1ccc(C(=O)NCCSc2cn[nH]n2)s1
InChIInChI=1S/C16H23N5OS2/c1-2-8-21-9-3-4-12(21)13-5-6-14(24-13)16(22)17-7-10-23-15-11-18-20-19-15/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyCQYVESSGWXEZJD-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.94
Rot. Bonds8

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

5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 45199086) has the molecular formula C16H23N5OS2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID45199086
Molecular FormulaC16H23N5OS2
Molecular Weight365.53 g/mol
Exact Mass365.13
IUPAC Name5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCCCN1CCCC1c1ccc(C(=O)NCCSc2cn[nH]n2)s1
InChIInChI=1S/C16H23N5OS2/c1-2-8-21-9-3-4-12(21)13-5-6-14(24-13)16(22)17-7-10-23-15-11-18-20-19-15/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyCQYVESSGWXEZJD-UHFFFAOYSA-N
XLogP2.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-1-benzothiophene-2-carboxamide
CID 56745283
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
CID 126433364
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
1-[2-oxo-2-[2-(2H-triazol-4-ylsulfanyl)ethylamino]ethyl]piperidine-4-carboxamide
CID 70733358
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914

Frequently Asked Questions

What is the IUPAC name of 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide (CID 45199086) is 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide is CCCN1CCCC1c1ccc(C(=O)NCCSc2cn[nH]n2)s1.
What is the InChIKey of 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is CQYVESSGWXEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS2/c1-2-8-21-9-3-4-12(21)13-5-6-14(24-13)16(22)17-7-10-23-15-11-18-20-19-15/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide?
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 365.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45199086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).