dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate

C15H14FNO4S2 — CID 7964665

IUPACdimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccccc1F
InChIInChI=1S/C15H14FNO4S2/c1-20-14(18)11-8(12(15(19)21-2)23-13(11)17)7-22-10-6-4-3-5-9(10)16/h3-6H,7,17H2,1-2H3
InChIKeyMSSDCZICEZLFHJ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.33
Rot. Bonds5

About dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate

dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate (PubChem CID 7964665) has the molecular formula C15H14FNO4S2 and a molecular weight of 355.41 g/mol. Its IUPAC name is dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
PubChem CID7964665
Molecular FormulaC15H14FNO4S2
Molecular Weight355.41 g/mol
Exact Mass355.03
IUPAC Namedimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccccc1F
InChIInChI=1S/C15H14FNO4S2/c1-20-14(18)11-8(12(15(19)21-2)23-13(11)17)7-22-10-6-4-3-5-9(10)16/h3-6H,7,17H2,1-2H3
InChIKeyMSSDCZICEZLFHJ-UHFFFAOYSA-N
XLogP3.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-amino-3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
CID 16572344
dimethyl 5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate
CID 7465237
dimethyl 5-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiophene-2,4-dicarboxylate
CID 7976559
methyl 2-[2-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460832
dimethyl 5-amino-3-[(3-methoxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 7985951
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708
methyl 2-[(2-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8585091
diethyl 5-amino-3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate
CID 16507019
methyl 2-[[2-[2-(2-fluorophenyl)sulfanylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7676168
dimethyl 5-amino-3-[(5-chloro-2-hydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8604133
dimethyl 5-amino-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 8011413
dimethyl 5-amino-3-[[2-(4-methoxyphenoxy)acetyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 7846626

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate (CID 7964665) is dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate is COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccccc1F.
What is the InChIKey of dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate?
The InChIKey is MSSDCZICEZLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S2/c1-20-14(18)11-8(12(15(19)21-2)23-13(11)17)7-22-10-6-4-3-5-9(10)16/h3-6H,7,17H2,1-2H3.
What are the key properties of dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate?
dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate has a molecular weight of 355.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 7964665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).