3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide

C15H12N4S — CID 80511098

IUPAC3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12N4S/c16-14(20)13-7-8-17-19-15(13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,18,19)
InChIKeyCHQPHDUCEMTKSV-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide

3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide (PubChem CID 80511098) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide
PubChem CID80511098
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12N4S/c16-14(20)13-7-8-17-19-15(13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,18,19)
InChIKeyCHQPHDUCEMTKSV-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-4-carbothioamide
CID 80512123
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbothioamide
CID 115377757
3-(2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510994
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
CID 80510972
2-(naphthalen-2-ylamino)pyrimidine-4-carbothioamide
CID 107547161
3-(5-chloro-2-fluoroanilino)pyridazine-4-carbothioamide
CID 80512072
2-bromo-6-(naphthalen-2-ylamino)benzenecarbothioamide
CID 114882260
3-(2-fluoro-5-methoxyanilino)pyridazine-4-carbothioamide
CID 80511551
2-(naphthalen-2-ylamino)benzamide
CID 70089831
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
3-(4-bromo-2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510923

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide (CID 80511098) is 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1Nc1ccc2ccccc2c1.
What is the InChIKey of 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide?
The InChIKey is CHQPHDUCEMTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c16-14(20)13-7-8-17-19-15(13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,16,20)(H,18,19).
What are the key properties of 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide?
3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide has a molecular weight of 280.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).