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

C23H16Cl3N3OS — CID 126070329

IUPAC4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)n2)cc1
InChIInChI=1S/C23H16Cl3N3OS/c24-18-7-5-17(6-8-18)22-14-31-23(28-22)29-27-12-15-2-1-3-19(10-15)30-13-16-4-9-20(25)21(26)11-16/h1-12,14H,13H2,(H,28,29)/b27-12-
InChIKeyASKWZXFNUFIYCT-PPDIBHTLSA-N
MW488.83 g/mol
LogP7.80
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 126070329) has the molecular formula C23H16Cl3N3OS and a molecular weight of 488.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID126070329
Molecular FormulaC23H16Cl3N3OS
Molecular Weight488.83 g/mol
Exact Mass487.01
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)n2)cc1
InChIInChI=1S/C23H16Cl3N3OS/c24-18-7-5-17(6-8-18)22-14-31-23(28-22)29-27-12-15-2-1-3-19(10-15)30-13-16-4-9-20(25)21(26)11-16/h1-12,14H,13H2,(H,28,29)/b27-12-
InChIKeyASKWZXFNUFIYCT-PPDIBHTLSA-N
XLogP7.80
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.83
LogP ≤ 57.80
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'}

Analyze 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
4-(2,4-dichlorophenyl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270499
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
4-(4-chlorophenyl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42336661
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617397
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577542
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576992
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576988

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 126070329) is 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ASKWZXFNUFIYCT-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H16Cl3N3OS/c24-18-7-5-17(6-8-18)22-14-31-23(28-22)29-27-12-15-2-1-3-19(10-15)30-13-16-4-9-20(25)21(26)11-16/h1-12,14H,13H2,(H,28,29)/b27-12-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 488.83 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 126070329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).