[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate

C14H14N2O3S — CID 6242299

IUPAC[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
SMILESCOc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)14(15)16-19-13(17)9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyCYGXJPMITRUKDS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.16
Rot. Bonds5

About [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate (PubChem CID 6242299) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
PubChem CID6242299
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
SMILESCOc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)14(15)16-19-13(17)9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16)
InChIKeyCYGXJPMITRUKDS-UHFFFAOYSA-N
XLogP2.16
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6341393
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 2911615
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
CID 5078126
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
CID 76979565
[[amino-(4-methoxyphenyl)methylidene]amino] 2-[benzenesulfonyl(methyl)amino]acetate
CID 2219895
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate?
The IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate (CID 6242299) is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate.
What is the SMILES notation for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate?
The canonical SMILES for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate is COc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1.
What is the InChIKey of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate?
The InChIKey is CYGXJPMITRUKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)14(15)16-19-13(17)9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16).
What are the key properties of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate?
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate has a molecular weight of 290.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate is sourced from PubChem (CID 6242299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).