thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate

C13H11NO3S — CID 175095039

IUPACthiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)Oc2cccs2)cc1
InChIInChI=1S/C13H11NO3S/c1-16-11-6-4-10(5-7-11)14-9-12(15)17-13-3-2-8-18-13/h2-9H,1H3/b14-9+
InChIKeyJYCPEHAIAVRVQO-NTEUORMPSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds4

About thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate

thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate (PubChem CID 175095039) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namethiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
PubChem CID175095039
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Namethiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
SMILESCOc1ccc(/N=C/C(=O)Oc2cccs2)cc1
InChIInChI=1S/C13H11NO3S/c1-16-11-6-4-10(5-7-11)14-9-12(15)17-13-3-2-8-18-13/h2-9H,1H3/b14-9+
InChIKeyJYCPEHAIAVRVQO-NTEUORMPSA-N
XLogP3.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
2-(4-methoxyphenyl)iminoacetate
CID 22600240
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
1,1,1-trifluoro-4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]-4-thiophen-2-ylbut-3-en-2-one
CID 135538266
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
thiophen-2-yl acetate
CID 23617313
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
CID 101472894
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
CID 17011461
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate (CID 175095039) is thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate is COc1ccc(/N=C/C(=O)Oc2cccs2)cc1.
What is the InChIKey of thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate?
The InChIKey is JYCPEHAIAVRVQO-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-16-11-6-4-10(5-7-11)14-9-12(15)17-13-3-2-8-18-13/h2-9H,1H3/b14-9+.
What are the key properties of thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate?
thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate has a molecular weight of 261.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 175095039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).