methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate

C14H15FN2O2S — CID 103425708

IUPACmethyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccccc2F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-19-14(18)13-11(16)8-12(20-13)17-7-6-9-4-2-3-5-10(9)15/h2-5,8,17H,6-7,16H2,1H3
InChIKeyBJDGLBCXFJBJNS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.91
Rot. Bonds5

About methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate

methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate (PubChem CID 103425708) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
PubChem CID103425708
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Namemethyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccccc2F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-19-14(18)13-11(16)8-12(20-13)17-7-6-9-4-2-3-5-10(9)15/h2-5,8,17H,6-7,16H2,1H3
InChIKeyBJDGLBCXFJBJNS-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569591
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
CID 106262781
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
1-[3-amino-5-[2-(2-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103425707
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
4-amino-N-[2-(2-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61093123
methyl 3-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxylate
CID 103509921
methyl 5-[2-(2-fluorophenyl)ethylamino]-2-nitrobenzoate
CID 36531942
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
dimethyl 5-amino-3-[(2-fluorophenyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
CID 7964665
methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
CID 43155527

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate (CID 103425708) is methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate is COC(=O)c1sc(NCCc2ccccc2F)cc1N.
What is the InChIKey of methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The InChIKey is BJDGLBCXFJBJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-19-14(18)13-11(16)8-12(20-13)17-7-6-9-4-2-3-5-10(9)15/h2-5,8,17H,6-7,16H2,1H3.
What are the key properties of methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate?
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103425708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).