2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide

C14H13N3S — CID 24692134

IUPAC2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N1CCc2ccccc21
InChIInChI=1S/C14H13N3S/c15-13(18)11-5-3-8-16-14(11)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2,(H2,15,18)
InChIKeyGSLYJLKFPHWZNR-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.41
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide

2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (PubChem CID 24692134) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
PubChem CID24692134
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1N1CCc2ccccc21
InChIInChI=1S/C14H13N3S/c15-13(18)11-5-3-8-16-14(11)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2,(H2,15,18)
InChIKeyGSLYJLKFPHWZNR-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)pyridazine-4-carbothioamide
CID 80511988
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
N-cyclopropyl-2-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84576404
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 28822400
2-(4-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 24705416
2-(2,3-dihydroindol-1-yl)-4-methoxybenzenecarbothioamide
CID 81306234
N-[[2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62280665
4-(2,3-dihydroindol-1-yl)-3-fluorobenzenecarbothioamide
CID 43657805
[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84576421
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 84576434
2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 62942859
3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (CID 24692134) is 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is NC(=S)c1cccnc1N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The InChIKey is GSLYJLKFPHWZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-13(18)11-5-3-8-16-14(11)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2,(H2,15,18).
What are the key properties of 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide has a molecular weight of 255.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 24692134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).