N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C22H15Cl2N3S — CID 168577753

IUPACN-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1Cl
InChIInChI=1S/C22H15Cl2N3S/c23-19-11-10-16(12-20(19)24)18-9-5-4-8-17(18)13-25-27-22-26-21(14-28-22)15-6-2-1-3-7-15/h1-14H,(H,26,27)
InChIKeyCZEOCPARQZFZTP-UHFFFAOYSA-N
MW424.36 g/mol
LogP7.23
Rot. Bonds5

About N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577753) has the molecular formula C22H15Cl2N3S and a molecular weight of 424.36 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577753
Molecular FormulaC22H15Cl2N3S
Molecular Weight424.36 g/mol
Exact Mass423.04
IUPAC NameN-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1Cl
InChIInChI=1S/C22H15Cl2N3S/c23-19-11-10-16(12-20(19)24)18-9-5-4-8-17(18)13-25-27-22-26-21(14-28-22)15-6-2-1-3-7-15/h1-14H,(H,26,27)
InChIKeyCZEOCPARQZFZTP-UHFFFAOYSA-N
XLogP7.23
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.36
LogP ≤ 57.23
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-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-[[2-(3,4-dimethoxyphenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576815
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 2311169
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 135391679
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde
CID 138493752
N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110531999
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577753) is N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Clc1ccc(-c2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1Cl.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CZEOCPARQZFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3S/c23-19-11-10-16(12-20(19)24)18-9-5-4-8-17(18)13-25-27-22-26-21(14-28-22)15-6-2-1-3-7-15/h1-14H,(H,26,27).
What are the key properties of N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 424.36 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).