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

C30H33N3OS — CID 98068073

IUPACN-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C30H33N3OS/c1-3-4-5-6-10-21-34-27-19-15-24(16-20-27)22-31-33-30-32-28(25-17-13-23(2)14-18-25)29(35-30)26-11-8-7-9-12-26/h7-9,11-20,22H,3-6,10,21H2,1-2H3,(H,32,33)/b31-22-
InChIKeyYFZYXFLUZYAVNB-VAMRJTSQSA-N
MW483.68 g/mol
LogP8.58
Rot. Bonds12

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

N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 98068073) has the molecular formula C30H33N3OS and a molecular weight of 483.68 g/mol. Its IUPAC name is N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID98068073
Molecular FormulaC30H33N3OS
Molecular Weight483.68 g/mol
Exact Mass483.23
IUPAC NameN-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
SMILESCCCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C30H33N3OS/c1-3-4-5-6-10-21-34-27-19-15-24(16-20-27)22-31-33-30-32-28(25-17-13-23(2)14-18-25)29(35-30)26-11-8-7-9-12-26/h7-9,11-20,22H,3-6,10,21H2,1-2H3,(H,32,33)/b31-22-
InChIKeyYFZYXFLUZYAVNB-VAMRJTSQSA-N
XLogP8.58
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
CID 124529729
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
4-(4-chlorophenyl)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 3127407
5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 17135045
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
N-[(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 3146370
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (CID 98068073) is N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is CCCCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is YFZYXFLUZYAVNB-VAMRJTSQSA-N. The full InChI is InChI=1S/C30H33N3OS/c1-3-4-5-6-10-21-34-27-19-15-24(16-20-27)22-31-33-30-32-28(25-17-13-23(2)14-18-25)29(35-30)26-11-8-7-9-12-26/h7-9,11-20,22H,3-6,10,21H2,1-2H3,(H,32,33)/b31-22-.
What are the key properties of N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 483.68 g/mol, XLogP of 8.58, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 98068073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).