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

C17H17N3O2S2 — CID 110535173

IUPACN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(-c3cccs3)cs2)c1OC
InChIInChI=1S/C17H17N3O2S2/c1-3-22-14-7-4-6-12(16(14)21-2)10-18-20-17-19-13(11-24-17)15-8-5-9-23-15/h4-11H,3H2,1-2H3,(H,19,20)/b18-10-
InChIKeyHDQOWRDDFUHHDD-ZDLGFXPLSA-N
MW359.48 g/mol
LogP4.72
Rot. Bonds7

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

N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 110535173) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID110535173
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(-c3cccs3)cs2)c1OC
InChIInChI=1S/C17H17N3O2S2/c1-3-22-14-7-4-6-12(16(14)21-2)10-18-20-17-19-13(11-24-17)15-8-5-9-23-15/h4-11H,3H2,1-2H3,(H,19,20)/b18-10-
InChIKeyHDQOWRDDFUHHDD-ZDLGFXPLSA-N
XLogP4.72
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.72
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

4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534082
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535168
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
4-(2,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3816457
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 110339285
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781771
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 110535173) is N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is CCOc1cccc(/C=N\Nc2nc(-c3cccs3)cs2)c1OC.
What is the InChIKey of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is HDQOWRDDFUHHDD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-3-22-14-7-4-6-12(16(14)21-2)10-18-20-17-19-13(11-24-17)15-8-5-9-23-15/h4-11H,3H2,1-2H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 110535173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).