6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide

C15H15N3S — CID 43185008

IUPAC6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESCC1Cc2ccccc2N1c1ccc(C(N)=S)cn1
InChIInChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-13(11)18(10)14-7-6-12(9-17-14)15(16)19/h2-7,9-10H,8H2,1H3,(H2,16,19)
InChIKeyZFZOVRVTJNDNDL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.80
Rot. Bonds2

About 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide

6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (PubChem CID 43185008) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
PubChem CID43185008
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESCC1Cc2ccccc2N1c1ccc(C(N)=S)cn1
InChIInChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-13(11)18(10)14-7-6-12(9-17-14)15(16)19/h2-7,9-10H,8H2,1H3,(H2,16,19)
InChIKeyZFZOVRVTJNDNDL-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)pyridine-2-carbothioamide
CID 115488133
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
N-(2-hydroxyethyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84570683
N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridin-3-amine
CID 82104336
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 84570544
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
N-[4-(dimethylamino)phenyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109164685
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109156755
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164303
4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113022083
6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 63778256
N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287320

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (CID 43185008) is 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is CC1Cc2ccccc2N1c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The InChIKey is ZFZOVRVTJNDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-8-11-4-2-3-5-13(11)18(10)14-7-6-12(9-17-14)15(16)19/h2-7,9-10H,8H2,1H3,(H2,16,19).
What are the key properties of 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-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 6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 43185008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).