(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine

C11H14N2OS — CID 165408000

IUPAC(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine
SMILESCOC/N=C(/C=C\N)\C=C\c1cccs1
InChIInChI=1S/C11H14N2OS/c1-14-9-13-10(6-7-12)4-5-11-3-2-8-15-11/h2-8H,9,12H2,1H3/b5-4+,7-6-,13-10+
InChIKeyWEXZSIKYBWFSIR-PHDOKWNMSA-N
MW222.31 g/mol
LogP2.28
Rot. Bonds5

About (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine

(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine (PubChem CID 165408000) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine
PubChem CID165408000
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine
SMILESCOC/N=C(/C=C\N)\C=C\c1cccs1
InChIInChI=1S/C11H14N2OS/c1-14-9-13-10(6-7-12)4-5-11-3-2-8-15-11/h2-8H,9,12H2,1H3/b5-4+,7-6-,13-10+
InChIKeyWEXZSIKYBWFSIR-PHDOKWNMSA-N
XLogP2.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine with MolForge

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Related Compounds

[(E)-[(1Z,4E)-1-amino-5-thiophen-2-ylpenta-1,4-dien-3-ylidene]amino]methyl 2-hydroxypropanoate
CID 165408041
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
methyl 2-hydroxy-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 103957996
(E)-2-thiophen-2-ylethenol
CID 89297537
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566
2-methylsulfanylethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78790183
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
methyl 2-[propan-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetate
CID 54942077
(4-bromo-2,5-dimethoxyphenyl)methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 8649028

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine (CID 165408000) is (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine is COC/N=C(/C=C\N)\C=C\c1cccs1.
What is the InChIKey of (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine?
The InChIKey is WEXZSIKYBWFSIR-PHDOKWNMSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-9-13-10(6-7-12)4-5-11-3-2-8-15-11/h2-8H,9,12H2,1H3/b5-4+,7-6-,13-10+.
What are the key properties of (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine?
(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine is sourced from PubChem (CID 165408000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).