2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C14H17N5OS — CID 106418125

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCc1noc(CCNc2nc3c(cc2C(N)=S)CCC3)n1
InChIInChI=1S/C14H17N5OS/c1-8-17-12(20-19-8)5-6-16-14-10(13(15)21)7-9-3-2-4-11(9)18-14/h7H,2-6H2,1H3,(H2,15,21)(H,16,18)
InChIKeyGQILZPVKDLUBOB-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 106418125) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID106418125
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCc1noc(CCNc2nc3c(cc2C(N)=S)CCC3)n1
InChIInChI=1S/C14H17N5OS/c1-8-17-12(20-19-8)5-6-16-14-10(13(15)21)7-9-3-2-4-11(9)18-14/h7H,2-6H2,1H3,(H2,15,21)(H,16,18)
InChIKeyGQILZPVKDLUBOB-UHFFFAOYSA-N
XLogP1.55
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 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

2-(2-fluoroethylamino)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 114267002
2-(3-methylsulfanylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63958064
2-(1,2,4-oxadiazol-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 106399656
2-[2-[methyl(propan-2-yl)amino]ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 62640457
2-bromo-3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzenecarbothioamide
CID 106418135
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207722
2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 83016628
2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 62269859
2-[(1-methylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 106023919
2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 64733311
2-(heptan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63519072
3-bromo-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzenecarbothioamide
CID 106418110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 106418125) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is Cc1noc(CCNc2nc3c(cc2C(N)=S)CCC3)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is GQILZPVKDLUBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8-17-12(20-19-8)5-6-16-14-10(13(15)21)7-9-3-2-4-11(9)18-14/h7H,2-6H2,1H3,(H2,15,21)(H,16,18).
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 303.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 106418125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).