2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide

C12H18N4S — CID 83016628

IUPAC2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESCN(C)Nc1nc2c(cc1C(N)=S)CCCC2
InChIInChI=1S/C12H18N4S/c1-16(2)15-12-9(11(13)17)7-8-5-3-4-6-10(8)14-12/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyLZVKLUIOVOYBDP-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.48
Rot. Bonds3

About 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide

2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide (PubChem CID 83016628) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
PubChem CID83016628
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESCN(C)Nc1nc2c(cc1C(N)=S)CCCC2
InChIInChI=1S/C12H18N4S/c1-16(2)15-12-9(11(13)17)7-8-5-3-4-6-10(8)14-12/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyLZVKLUIOVOYBDP-UHFFFAOYSA-N
XLogP1.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide (CID 83016628) is 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide is CN(C)Nc1nc2c(cc1C(N)=S)CCCC2.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The InChIKey is LZVKLUIOVOYBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16(2)15-12-9(11(13)17)7-8-5-3-4-6-10(8)14-12/h7H,3-6H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide is sourced from PubChem (CID 83016628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).