5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide

C15H15N3S — CID 115488133

IUPAC5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
SMILESCC1Cc2ccccc2N1c1ccc(C(N)=S)nc1
InChIInChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-14(11)18(10)12-6-7-13(15(16)19)17-9-12/h2-7,9-10H,8H2,1H3,(H2,16,19)
InChIKeyJEPUKWFDOVIHKR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.80
Rot. Bonds2

About 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide

5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide (PubChem CID 115488133) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
PubChem CID115488133
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
SMILESCC1Cc2ccccc2N1c1ccc(C(N)=S)nc1
InChIInChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-14(11)18(10)12-6-7-13(15(16)19)17-9-12/h2-7,9-10H,8H2,1H3,(H2,16,19)
InChIKeyJEPUKWFDOVIHKR-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.80
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

[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181947
2,3-dihydroindol-1-yl-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109197791
6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 43185008
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
2-methoxy-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzamide
CID 113036618
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
5-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488609
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883
2-bromo-3-fluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 107534548
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide (CID 115488133) is 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide is CC1Cc2ccccc2N1c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide?
The InChIKey is JEPUKWFDOVIHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-14(11)18(10)12-6-7-13(15(16)19)17-9-12/h2-7,9-10H,8H2,1H3,(H2,16,19).
What are the key properties of 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide?
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide has a molecular weight of 269.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 115488133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).