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

C30H25N3OS — CID 94848957

IUPAC4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N/N=C\c3ccccc3OCc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C30H25N3OS/c1-22-16-18-24(19-17-22)28-29(25-12-6-3-7-13-25)35-30(32-28)33-31-20-26-14-8-9-15-27(26)34-21-23-10-4-2-5-11-23/h2-20H,21H2,1H3,(H,32,33)/b31-20-
InChIKeyHOGCWLFERMUEGT-GTWSWNCMSA-N
MW475.62 g/mol
LogP7.81
Rot. Bonds8

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

4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 94848957) has the molecular formula C30H25N3OS and a molecular weight of 475.62 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID94848957
Molecular FormulaC30H25N3OS
Molecular Weight475.62 g/mol
Exact Mass475.17
IUPAC Name4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N/N=C\c3ccccc3OCc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C30H25N3OS/c1-22-16-18-24(19-17-22)28-29(25-12-6-3-7-13-25)35-30(32-28)33-31-20-26-14-8-9-15-27(26)34-21-23-10-4-2-5-11-23/h2-20H,21H2,1H3,(H,32,33)/b31-20-
InChIKeyHOGCWLFERMUEGT-GTWSWNCMSA-N
XLogP7.81
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2-heptoxyphenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
CID 124529729
[2-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 124529730
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 94848941
5-(4-chlorophenyl)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 73370116
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 163326146

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 94848957) is 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is Cc1ccc(-c2nc(N/N=C\c3ccccc3OCc3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is HOGCWLFERMUEGT-GTWSWNCMSA-N. The full InChI is InChI=1S/C30H25N3OS/c1-22-16-18-24(19-17-22)28-29(25-12-6-3-7-13-25)35-30(32-28)33-31-20-26-14-8-9-15-27(26)34-21-23-10-4-2-5-11-23/h2-20H,21H2,1H3,(H,32,33)/b31-20-.
What are the key properties of 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 475.62 g/mol, XLogP of 7.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 94848957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).