N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C22H15Cl2N3OS — CID 168577542

IUPACN-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(Oc2cccc(C=NNc3nc(-c4ccccc4)cs3)c2)c1
InChIInChI=1S/C22H15Cl2N3OS/c23-17-10-18(24)12-20(11-17)28-19-8-4-5-15(9-19)13-25-27-22-26-21(14-29-22)16-6-2-1-3-7-16/h1-14H,(H,26,27)
InChIKeyLSHBYPOKQACSQO-UHFFFAOYSA-N
MW440.36 g/mol
LogP7.36
Rot. Bonds6

About N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577542) has the molecular formula C22H15Cl2N3OS and a molecular weight of 440.36 g/mol. Its IUPAC name is N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577542
Molecular FormulaC22H15Cl2N3OS
Molecular Weight440.36 g/mol
Exact Mass439.03
IUPAC NameN-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(Oc2cccc(C=NNc3nc(-c4ccccc4)cs3)c2)c1
InChIInChI=1S/C22H15Cl2N3OS/c23-17-10-18(24)12-20(11-17)28-19-8-4-5-15(9-19)13-25-27-22-26-21(14-29-22)16-6-2-1-3-7-16/h1-14H,(H,26,27)
InChIKeyLSHBYPOKQACSQO-UHFFFAOYSA-N
XLogP7.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.36
LogP ≤ 57.36
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-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578727
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310
4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 126070329
2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576992

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577542) is N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Clc1cc(Cl)cc(Oc2cccc(C=NNc3nc(-c4ccccc4)cs3)c2)c1.
What is the InChIKey of N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LSHBYPOKQACSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3OS/c23-17-10-18(24)12-20(11-17)28-19-8-4-5-15(9-19)13-25-27-22-26-21(14-29-22)16-6-2-1-3-7-16/h1-14H,(H,26,27).
What are the key properties of N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 440.36 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).