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

C23H17Cl2N3OS — CID 27270491

IUPAC4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(COc2cccc(/C=N\Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1
InChIInChI=1S/C23H17Cl2N3OS/c24-19-8-4-16(5-9-19)14-29-21-3-1-2-17(12-21)13-26-28-23-27-22(15-30-23)18-6-10-20(25)11-7-18/h1-13,15H,14H2,(H,27,28)/b26-13-
InChIKeyYHPPTAFSVSFOKC-ZMFRSBBQSA-N
MW454.38 g/mol
LogP7.14
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 27270491) has the molecular formula C23H17Cl2N3OS and a molecular weight of 454.38 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID27270491
Molecular FormulaC23H17Cl2N3OS
Molecular Weight454.38 g/mol
Exact Mass453.05
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(COc2cccc(/C=N\Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1
InChIInChI=1S/C23H17Cl2N3OS/c24-19-8-4-16(5-9-19)14-29-21-3-1-2-17(12-21)13-26-28-23-27-22(15-30-23)18-6-10-20(25)11-7-18/h1-13,15H,14H2,(H,27,28)/b26-13-
InChIKeyYHPPTAFSVSFOKC-ZMFRSBBQSA-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)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 126070329
4-(2,4-dichlorophenyl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270499
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
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
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
4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 124529739
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
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7346400

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 27270491) is 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is Clc1ccc(COc2cccc(/C=N\Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YHPPTAFSVSFOKC-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H17Cl2N3OS/c24-19-8-4-16(5-9-19)14-29-21-3-1-2-17(12-21)13-26-28-23-27-22(15-30-23)18-6-10-20(25)11-7-18/h1-13,15H,14H2,(H,27,28)/b26-13-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-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-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 27270491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).