N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine

C25H23N3O2S — CID 94848965

IUPACN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC
InChIInChI=1S/C25H23N3O2S/c1-17-9-12-19(13-10-17)23-24(20-7-5-4-6-8-20)31-25(27-23)28-26-16-18-11-14-21(29-2)22(15-18)30-3/h4-16H,1-3H3,(H,27,28)/b26-16-
InChIKeyLISPQRKPULCXFS-QQXSKIMKSA-N
MW429.55 g/mol
LogP6.25
Rot. Bonds7

About N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 94848965) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID94848965
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC
InChIInChI=1S/C25H23N3O2S/c1-17-9-12-19(13-10-17)23-24(20-7-5-4-6-8-20)31-25(27-23)28-26-16-18-11-14-21(29-2)22(15-18)30-3/h4-16H,1-3H3,(H,27,28)/b26-16-
InChIKeyLISPQRKPULCXFS-QQXSKIMKSA-N
XLogP6.25
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.25
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

N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 73370116
methyl 2-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110533491
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338068
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
methyl 2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110529867
[2-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 124529730
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 94848941
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (CID 94848965) is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is COc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC.
What is the InChIKey of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is LISPQRKPULCXFS-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-9-12-19(13-10-17)23-24(20-7-5-4-6-8-20)31-25(27-23)28-26-16-18-11-14-21(29-2)22(15-18)30-3/h4-16H,1-3H3,(H,27,28)/b26-16-.
What are the key properties of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 429.55 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 94848965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).