N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

C19H17Cl2N3OS — CID 110532113

IUPACN-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-3-25-18-15(20)9-13(10-16(18)21)11-22-24-19-23-17(12(2)26-19)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,23,24)/b22-11-
InChIKeyIEMDAAPGBWPCBK-JJFYIABZSA-N
MW406.34 g/mol
LogP6.27
Rot. Bonds6

About N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 110532113) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID110532113
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC NameN-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-3-25-18-15(20)9-13(10-16(18)21)11-22-24-19-23-17(12(2)26-19)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,23,24)/b22-11-
InChIKeyIEMDAAPGBWPCBK-JJFYIABZSA-N
XLogP6.27
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 56.27
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

2-chloro-6-ethoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781789
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110535551
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538638
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110532549
N-[(Z)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530952
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578846
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 110532113) is N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1Cl.
What is the InChIKey of N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is IEMDAAPGBWPCBK-JJFYIABZSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-3-25-18-15(20)9-13(10-16(18)21)11-22-24-19-23-17(12(2)26-19)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,23,24)/b22-11-.
What are the key properties of N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 406.34 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).