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

C16H17N3S — CID 64594883

IUPAC6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C16H17N3S/c17-16(20)14-6-3-7-15(19-14)18-13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H2,17,20)(H,18,19)
InChIKeyVEKAMLOMRCOOCF-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.69
Rot. Bonds3

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

6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide (PubChem CID 64594883) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide
PubChem CID64594883
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C16H17N3S/c17-16(20)14-6-3-7-15(19-14)18-13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H2,17,20)(H,18,19)
InChIKeyVEKAMLOMRCOOCF-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
CID 79825418
6-[(3,5-dimethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 64732731
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridin-2-amine
CID 94392451
2-N-propyl-6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-diamine
CID 80797857
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbothioamide
CID 62304603
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-2-amine
CID 60631928
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
CID 64595865
2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 78988868
6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
CID 64588260
2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
CID 80958381
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
6-N-methyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 80825956

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide (CID 64594883) is 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide is NC(=S)c1cccc(NC2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide?
The InChIKey is VEKAMLOMRCOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-16(20)14-6-3-7-15(19-14)18-13-9-8-11-4-1-2-5-12(11)10-13/h1-7,13H,8-10H2,(H2,17,20)(H,18,19).
What are the key properties of 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide?
6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide has a molecular weight of 283.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).