N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine

C24H19N3S — CID 73204472

IUPACN-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine
SMILESC(=Cc1ccccc1)C=NNc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H19N3S/c1-4-11-19(12-5-1)13-10-18-25-27-24-26-22(20-14-6-2-7-15-20)23(28-24)21-16-8-3-9-17-21/h1-18H,(H,26,27)
InChIKeyZDILMTSZDBXYPU-UHFFFAOYSA-N
MW381.50 g/mol
LogP6.59
Rot. Bonds6

About N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine

N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine (PubChem CID 73204472) has the molecular formula C24H19N3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine
PubChem CID73204472
Molecular FormulaC24H19N3S
Molecular Weight381.50 g/mol
Exact Mass381.13
IUPAC NameN-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine
SMILESC(=Cc1ccccc1)C=NNc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H19N3S/c1-4-11-19(12-5-1)13-10-18-25-27-24-26-22(20-14-6-2-7-15-20)23(28-24)21-16-8-3-9-17-21/h1-18H,(H,26,27)
InChIKeyZDILMTSZDBXYPU-UHFFFAOYSA-N
XLogP6.59
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
CID 93005804
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 94848941
4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193
3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
CID 3908635
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
CID 124529729
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
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
[2-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 124529730

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine (CID 73204472) is N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine is C(=Cc1ccccc1)C=NNc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine?
The InChIKey is ZDILMTSZDBXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3S/c1-4-11-19(12-5-1)13-10-18-25-27-24-26-22(20-14-6-2-7-15-20)23(28-24)21-16-8-3-9-17-21/h1-18H,(H,26,27).
What are the key properties of N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine?
N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine has a molecular weight of 381.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 73204472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).