4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H21N5OS — CID 53498622

IUPAC4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NCCCn1cncn1
InChIInChI=1S/C15H21N5OS/c1-2-13-12-5-9-22-14(12)4-8-20(13)15(21)17-6-3-7-19-11-16-10-18-19/h5,9-11,13H,2-4,6-8H2,1H3,(H,17,21)
InChIKeyOEYSWJWGPXIZCR-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.45
Rot. Bonds5

About 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 53498622) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID53498622
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NCCCn1cncn1
InChIInChI=1S/C15H21N5OS/c1-2-13-12-5-9-22-14(12)4-8-20(13)15(21)17-6-3-7-19-11-16-10-18-19/h5,9-11,13H,2-4,6-8H2,1H3,(H,17,21)
InChIKeyOEYSWJWGPXIZCR-UHFFFAOYSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94121250
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55473205
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94057824
N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71940919
(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97027157
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
CID 24504461
(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 53498622) is 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCC1c2ccsc2CCN1C(=O)NCCCn1cncn1.
What is the InChIKey of 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is OEYSWJWGPXIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-13-12-5-9-22-14(12)4-8-20(13)15(21)17-6-3-7-19-11-16-10-18-19/h5,9-11,13H,2-4,6-8H2,1H3,(H,17,21).
What are the key properties of 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 53498622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).