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

C14H12FN3S — CID 103495649

IUPAC6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C14H12FN3S/c15-11-3-1-9-5-6-18(12(9)7-11)13-4-2-10(8-17-13)14(16)19/h1-4,7-8H,5-6H2,(H2,16,19)
InChIKeySNURRUFVWMWLQS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.55
Rot. Bonds2

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

6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (PubChem CID 103495649) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
PubChem CID103495649
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C14H12FN3S/c15-11-3-1-9-5-6-18(12(9)7-11)13-4-2-10(8-17-13)14(16)19/h1-4,7-8H,5-6H2,(H2,16,19)
InChIKeySNURRUFVWMWLQS-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.55
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

[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499292
4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 103495654
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 63778256
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
6-(2,3-dihydroindol-1-yl)pyridine-3-carboximidamide
CID 24698172
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide (CID 103495649) is 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is NC(=S)c1ccc(N2CCc3ccc(F)cc32)nc1.
What is the InChIKey of 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
The InChIKey is SNURRUFVWMWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-11-3-1-9-5-6-18(12(9)7-11)13-4-2-10(8-17-13)14(16)19/h1-4,7-8H,5-6H2,(H2,16,19).
What are the key properties of 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide?
6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide has a molecular weight of 273.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 103495649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).