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

C23H17Cl2N3OS — CID 73385550

IUPAC4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H17Cl2N3OS/c24-19-11-9-16(10-12-19)21-15-30-23(27-21)28-26-13-17-5-2-4-8-22(17)29-14-18-6-1-3-7-20(18)25/h1-13,15H,14H2,(H,27,28)
InChIKeyLWUAAPSFRTWKKX-UHFFFAOYSA-N
MW454.38 g/mol
LogP7.14
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 73385550) has the molecular formula C23H17Cl2N3OS and a molecular weight of 454.38 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID73385550
Molecular FormulaC23H17Cl2N3OS
Molecular Weight454.38 g/mol
Exact Mass453.05
IUPAC Name4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H17Cl2N3OS/c24-19-11-9-16(10-12-19)21-15-30-23(27-21)28-26-13-17-5-2-4-8-22(17)29-14-18-6-1-3-7-20(18)25/h1-13,15H,14H2,(H,27,28)
InChIKeyLWUAAPSFRTWKKX-UHFFFAOYSA-N
XLogP7.14
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 57.14
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

4-(4-chlorophenyl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42336661
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579175
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 110338645
N-[[2-[(2,5-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576970
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
N-[[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578771
4-(2,4-dichlorophenyl)-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 155923376
4-(2,4-dichlorophenyl)-N-[(2-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4552872
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578768
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 73385550) is 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=Cc3ccccc3OCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is LWUAAPSFRTWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3OS/c24-19-11-9-16(10-12-19)21-15-30-23(27-21)28-26-13-17-5-2-4-8-22(17)29-14-18-6-1-3-7-20(18)25/h1-13,15H,14H2,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 454.38 g/mol, XLogP of 7.14, 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-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 73385550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).