6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide

C16H16N2OS — CID 43185027

IUPAC6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OC2CCCc3ccccc32)nc1
InChIInChI=1S/C16H16N2OS/c17-16(20)12-8-9-15(18-10-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H2,17,20)
InChIKeyTYNJGBXEPSMMIW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.17
Rot. Bonds3

About 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide

6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide (PubChem CID 43185027) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide
PubChem CID43185027
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OC2CCCc3ccccc32)nc1
InChIInChI=1S/C16H16N2OS/c17-16(20)12-8-9-15(18-10-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H2,17,20)
InChIKeyTYNJGBXEPSMMIW-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.17
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-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
CID 136990779
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
N-methyl-1-[6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridazin-3-yl]methanamine
CID 62291976
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
CID 43166910
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
2-tert-butyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 164708968
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide (CID 43185027) is 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide is NC(=S)c1ccc(OC2CCCc3ccccc32)nc1.
What is the InChIKey of 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide?
The InChIKey is TYNJGBXEPSMMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-16(20)12-8-9-15(18-10-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H2,17,20).
What are the key properties of 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide?
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide has a molecular weight of 284.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide is sourced from PubChem (CID 43185027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).