3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide

C10H16N4S2 — CID 80511799

IUPAC3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
SMILESCSCC(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S2/c1-7(6-16-2)5-12-10-8(9(11)15)3-4-13-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyCFWNSVYZFQXMNW-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.52
Rot. Bonds6

About 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide

3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide (PubChem CID 80511799) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
PubChem CID80511799
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
SMILESCSCC(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S2/c1-7(6-16-2)5-12-10-8(9(11)15)3-4-13-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyCFWNSVYZFQXMNW-UHFFFAOYSA-N
XLogP1.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
CID 80516950
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381
3-[(1-methylsulfanylcyclopentyl)methylamino]pyridazine-4-carbothioamide
CID 114116400
5-methyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]benzenecarbothioamide
CID 107929014
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
CID 106010196
3-[(4-methyloxan-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114125561
3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
CID 80511242
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide (CID 80511799) is 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide is CSCC(C)CNc1nnccc1C(N)=S.
What is the InChIKey of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide?
The InChIKey is CFWNSVYZFQXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-7(6-16-2)5-12-10-8(9(11)15)3-4-13-14-10/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide?
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide has a molecular weight of 256.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).