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

C17H19N3S — CID 62304603

IUPAC6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C17H19N3S/c1-11-6-9-15(16(18)21)17(19-11)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H2,18,21)(H,19,20)
InChIKeyIFYMABCOOXIKJQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.99
Rot. Bonds3

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

6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide (PubChem CID 62304603) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide
PubChem CID62304603
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C17H19N3S/c1-11-6-9-15(16(18)21)17(19-11)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H2,18,21)(H,19,20)
InChIKeyIFYMABCOOXIKJQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide (CID 62304603) is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NC2CCc3ccccc3C2)n1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide?
The InChIKey is IFYMABCOOXIKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-6-9-15(16(18)21)17(19-11)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide?
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide has a molecular weight of 297.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 62304603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).