2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C16H19N3S2 — CID 79491710

IUPAC2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCN(CCc1cccs1)c1nc2c(cc1C(N)=S)CCC2
InChIInChI=1S/C16H19N3S2/c1-19(8-7-12-5-3-9-21-12)16-13(15(17)20)10-11-4-2-6-14(11)18-16/h3,5,9-10H,2,4,6-8H2,1H3,(H2,17,20)
InChIKeyURSNXHOZCMSELO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.94
Rot. Bonds5

About 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 79491710) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID79491710
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC Name2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCN(CCc1cccs1)c1nc2c(cc1C(N)=S)CCC2
InChIInChI=1S/C16H19N3S2/c1-19(8-7-12-5-3-9-21-12)16-13(15(17)20)10-11-4-2-6-14(11)18-16/h3,5,9-10H,2,4,6-8H2,1H3,(H2,17,20)
InChIKeyURSNXHOZCMSELO-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl(2-thiophen-2-ylethyl)amino]-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-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63008638
2-[methyl(2-methylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63958272
N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916556
2-[1-hydroxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 104552030
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79376792
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 65485060
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970108
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 79491710) is 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is CN(CCc1cccs1)c1nc2c(cc1C(N)=S)CCC2.
What is the InChIKey of 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is URSNXHOZCMSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-19(8-7-12-5-3-9-21-12)16-13(15(17)20)10-11-4-2-6-14(11)18-16/h3,5,9-10H,2,4,6-8H2,1H3,(H2,17,20).
What are the key properties of 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 317.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 79491710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).