(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine

C20H18N2O2S — CID 89395166

IUPAC(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccsc3)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c21-11-9-20(22)16-1-3-18(4-2-16)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14,21H,13,22H2/b20-9-,21-11+
InChIKeyFNCYRZSYDHRMNL-VIVBUISQSA-N
MW350.44 g/mol
LogP5.07
Rot. Bonds7

About (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine

(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine (PubChem CID 89395166) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine
PubChem CID89395166
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccsc3)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c21-11-9-20(22)16-1-3-18(4-2-16)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14,21H,13,22H2/b20-9-,21-11+
InChIKeyFNCYRZSYDHRMNL-VIVBUISQSA-N
XLogP5.07
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine
CID 89395185
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
CID 90314782
(3S)-3-[4-[4-[(Z)-1-amino-3-iminoprop-1-enyl]phenoxy]phenoxy]-3-methyloxolan-2-one
CID 89395176
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
CID 122475730
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine (CID 89395166) is (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccsc3)cc2)cc1.
What is the InChIKey of (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine?
The InChIKey is FNCYRZSYDHRMNL-VIVBUISQSA-N. The full InChI is InChI=1S/C20H18N2O2S/c21-11-9-20(22)16-1-3-18(4-2-16)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14,21H,13,22H2/b20-9-,21-11+.
What are the key properties of (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine?
(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine has a molecular weight of 350.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 89395166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).