5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide

C13H17N5S2 — CID 80510884

IUPAC5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
SMILESCCc1nnc(Nc2ncc(C)s2)c(C(N)=S)c1CC
InChIInChI=1S/C13H17N5S2/c1-4-8-9(5-2)17-18-12(10(8)11(14)19)16-13-15-6-7(3)20-13/h6H,4-5H2,1-3H3,(H2,14,19)(H,15,16,18)
InChIKeyWZLRCVGFJXVIDE-UHFFFAOYSA-N
MW307.45 g/mol
LogP2.74
Rot. Bonds5

About 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide

5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide (PubChem CID 80510884) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
PubChem CID80510884
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
SMILESCCc1nnc(Nc2ncc(C)s2)c(C(N)=S)c1CC
InChIInChI=1S/C13H17N5S2/c1-4-8-9(5-2)17-18-12(10(8)11(14)19)16-13-15-6-7(3)20-13/h6H,4-5H2,1-3H3,(H2,14,19)(H,15,16,18)
InChIKeyWZLRCVGFJXVIDE-UHFFFAOYSA-N
XLogP2.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-3-(pyridin-3-ylamino)pyridazine-4-carbothioamide
CID 80510897
5,6-diethyl-3-(pentan-2-ylamino)pyridazine-4-carbothioamide
CID 80510877
3-[(4-bromothiophen-2-yl)methylamino]-5,6-diethylpyridazine-4-carbothioamide
CID 80511741
5,6-diethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbothioamide
CID 80511616
5,6-diethyl-3-(heptan-2-ylamino)pyridazine-4-carbothioamide
CID 80511129
5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide
CID 80511343
5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
CID 80511514
4-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 81306393
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide
CID 80511264
5,6-diethyl-3-(2-methylimidazol-1-yl)pyridazine-4-carbothioamide
CID 80511813
5,6-diethyl-3-(oxolan-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80512337

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide (CID 80510884) is 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide is CCc1nnc(Nc2ncc(C)s2)c(C(N)=S)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide?
The InChIKey is WZLRCVGFJXVIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-4-8-9(5-2)17-18-12(10(8)11(14)19)16-13-15-6-7(3)20-13/h6H,4-5H2,1-3H3,(H2,14,19)(H,15,16,18).
What are the key properties of 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide?
5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide has a molecular weight of 307.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).