N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine

C24H24N4S2 — CID 172994919

IUPACN-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCSc1c(CC(C)=NNc2nc(-c3ccccc3)cs2)c(C)nc2ccc(C)cc12
InChIInChI=1S/C24H24N4S2/c1-15-10-11-21-20(12-15)23(29-4)19(17(3)25-21)13-16(2)27-28-24-26-22(14-30-24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,26,28)
InChIKeyCFEMSQPHJGBJMO-UHFFFAOYSA-N
MW432.62 g/mol
LogP6.73
Rot. Bonds6

About N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 172994919) has the molecular formula C24H24N4S2 and a molecular weight of 432.62 g/mol. Its IUPAC name is N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID172994919
Molecular FormulaC24H24N4S2
Molecular Weight432.62 g/mol
Exact Mass432.14
IUPAC NameN-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCSc1c(CC(C)=NNc2nc(-c3ccccc3)cs2)c(C)nc2ccc(C)cc12
InChIInChI=1S/C24H24N4S2/c1-15-10-11-21-20(12-15)23(29-4)19(17(3)25-21)13-16(2)27-28-24-26-22(14-30-24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,26,28)
InChIKeyCFEMSQPHJGBJMO-UHFFFAOYSA-N
XLogP6.73
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one
CID 138374069
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127034218
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2598479
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 2875908
(3R)-5,5-dimethyl-3-[(2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one
CID 5423172
4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 43835823

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 172994919) is N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine is CSc1c(CC(C)=NNc2nc(-c3ccccc3)cs2)c(C)nc2ccc(C)cc12.
What is the InChIKey of N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CFEMSQPHJGBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S2/c1-15-10-11-21-20(12-15)23(29-4)19(17(3)25-21)13-16(2)27-28-24-26-22(14-30-24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 432.62 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethyl-4-methylsulfanylquinolin-3-yl)propan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 172994919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).