N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

C18H19N3O2S2 — CID 110534176

IUPACN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OC
InChIInChI=1S/C18H19N3O2S2/c1-4-23-14-8-7-13(10-15(14)22-3)11-19-21-18-20-17(12(2)25-18)16-6-5-9-24-16/h5-11H,4H2,1-3H3,(H,20,21)/b19-11-
InChIKeyZTQTZNSWYIODAN-ODLFYWEKSA-N
MW373.50 g/mol
LogP5.03
Rot. Bonds7

About N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 110534176) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID110534176
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OC
InChIInChI=1S/C18H19N3O2S2/c1-4-23-14-8-7-13(10-15(14)22-3)11-19-21-18-20-17(12(2)25-18)16-6-5-9-24-16/h5-11H,4H2,1-3H3,(H,20,21)/b19-11-
InChIKeyZTQTZNSWYIODAN-ODLFYWEKSA-N
XLogP5.03
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110531355
N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110537143
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110532549
4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822239
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535168
2-chloro-4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822071
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338068
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2047569
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 110534176) is N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is CCOc1ccc(/C=N\Nc2nc(-c3cccs3)c(C)s2)cc1OC.
What is the InChIKey of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZTQTZNSWYIODAN-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-23-14-8-7-13(10-15(14)22-3)11-19-21-18-20-17(12(2)25-18)16-6-5-9-24-16/h5-11H,4H2,1-3H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 373.50 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 110534176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).