N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C18H15Cl2N3O2S — CID 110531994

IUPACN-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OC
InChIInChI=1S/C18H15Cl2N3O2S/c1-24-16-8-11(7-14(20)17(16)25-2)9-21-23-18-22-15(10-26-18)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,23)/b21-9-
InChIKeyDRPMZBGGJYAOAM-NKVSQWTQSA-N
MW408.31 g/mol
LogP5.58
Rot. Bonds6

About N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 110531994) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID110531994
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OC
InChIInChI=1S/C18H15Cl2N3O2S/c1-24-16-8-11(7-14(20)17(16)25-2)9-21-23-18-22-15(10-26-18)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,23)/b21-9-
InChIKeyDRPMZBGGJYAOAM-NKVSQWTQSA-N
XLogP5.58
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531201
2-chloro-4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 136781753
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136781775
4-(4-chlorophenyl)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5450131
4-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 73450398
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530316
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530317
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578846
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110530041
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578469
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578842
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110530024

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 110531994) is N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Cl)c1OC.
What is the InChIKey of N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DRPMZBGGJYAOAM-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-24-16-8-11(7-14(20)17(16)25-2)9-21-23-18-22-15(10-26-18)12-3-5-13(19)6-4-12/h3-10H,1-2H3,(H,22,23)/b21-9-.
What are the key properties of N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 408.31 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110531994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).