4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C19H16Cl3N3OS — CID 110530316

IUPAC4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCC(C)Oc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl
InChIInChI=1S/C19H16Cl3N3OS/c1-11(2)26-18-15(21)7-12(8-16(18)22)9-23-25-19-24-17(10-27-19)13-3-5-14(20)6-4-13/h3-11H,1-2H3,(H,24,25)/b23-9-
InChIKeyYJXMSTGPXJPJJU-AQHIEDMUSA-N
MW440.78 g/mol
LogP7.00
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110530316) has the molecular formula C19H16Cl3N3OS and a molecular weight of 440.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110530316
Molecular FormulaC19H16Cl3N3OS
Molecular Weight440.78 g/mol
Exact Mass439.01
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCC(C)Oc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl
InChIInChI=1S/C19H16Cl3N3OS/c1-11(2)26-18-15(21)7-12(8-16(18)22)9-23-25-19-24-17(10-27-19)13-3-5-14(20)6-4-13/h3-11H,1-2H3,(H,24,25)/b23-9-
InChIKeyYJXMSTGPXJPJJU-AQHIEDMUSA-N
XLogP7.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 57.00
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

N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531994
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530317
2-N-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627027
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531201
4-(4-chlorophenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5230372
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
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110532452
N-[4-[2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110530809
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 110530316) is 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine is CC(C)Oc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YJXMSTGPXJPJJU-AQHIEDMUSA-N. The full InChI is InChI=1S/C19H16Cl3N3OS/c1-11(2)26-18-15(21)7-12(8-16(18)22)9-23-25-19-24-17(10-27-19)13-3-5-14(20)6-4-13/h3-11H,1-2H3,(H,24,25)/b23-9-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 440.78 g/mol, XLogP of 7.00, 6 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)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110530316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).