[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea

C15H20N4S — CID 50864127

IUPAC[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N\NC(N)=S)cc21
InChIInChI=1S/C15H20N4S/c1-10-8-15(2,3)19(4)13-6-5-11(7-12(10)13)9-17-18-14(16)20/h5-9H,1-4H3,(H3,16,18,20)/b17-9-
InChIKeyGWZDAJIZIIQPBL-MFOYZWKCSA-N
MW288.42 g/mol
LogP2.49
Rot. Bonds2

About [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea

[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea (PubChem CID 50864127) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
PubChem CID50864127
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N\NC(N)=S)cc21
InChIInChI=1S/C15H20N4S/c1-10-8-15(2,3)19(4)13-6-5-11(7-12(10)13)9-17-18-14(16)20/h5-9H,1-4H3,(H3,16,18,20)/b17-9-
InChIKeyGWZDAJIZIIQPBL-MFOYZWKCSA-N
XLogP2.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
CID 50864201
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170764
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800
N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50864337
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307
[(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3375039
[4-[(carbamothioylhydrazinylidene)methyl]-2-methylphenyl]boronic acid
CID 168534349
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866226
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea (CID 50864127) is [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea is CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(N)=S)cc21.
What is the InChIKey of [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea?
The InChIKey is GWZDAJIZIIQPBL-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-8-15(2,3)19(4)13-6-5-11(7-12(10)13)9-17-18-14(16)20/h5-9H,1-4H3,(H3,16,18,20)/b17-9-.
What are the key properties of [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea?
[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea has a molecular weight of 288.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]thiourea is sourced from PubChem (CID 50864127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).