(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H20N4O2S — CID 97027157

IUPAC(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@H]1c2ccsc2CCN1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O2S/c1-2-12-11-6-8-23-13(11)5-7-20(12)16(21)17-9-14-18-15(19-22-14)10-3-4-10/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyPXTDEVFESCBGJS-LBPRGKRZSA-N
MW332.43 g/mol
LogP3.23
Rot. Bonds4

About (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 97027157) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID97027157
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@H]1c2ccsc2CCN1C(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O2S/c1-2-12-11-6-8-23-13(11)5-7-20(12)16(21)17-9-14-18-15(19-22-14)10-3-4-10/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyPXTDEVFESCBGJS-LBPRGKRZSA-N
XLogP3.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-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

4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
(4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 95756653
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112837975
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55473205
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436
(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-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498622
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55890848
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51118263

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (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) is (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@H]1c2ccsc2CCN1C(=O)NCc1nc(C2CC2)no1.
What is the InChIKey of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is PXTDEVFESCBGJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-12-11-6-8-23-13(11)5-7-20(12)16(21)17-9-14-18-15(19-22-14)10-3-4-10/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 97027157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).