ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate

C10H16N2O2S — CID 103423163

IUPACethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
SMILESCCCNc1cc(N)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O2S/c1-3-5-12-8-6-7(11)9(15-8)10(13)14-4-2/h6,12H,3-5,11H2,1-2H3
InChIKeyGDELCVSNWAOUAT-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.33
Rot. Bonds5

About ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate

ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate (PubChem CID 103423163) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
PubChem CID103423163
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
SMILESCCCNc1cc(N)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O2S/c1-3-5-12-8-6-7(11)9(15-8)10(13)14-4-2/h6,12H,3-5,11H2,1-2H3
InChIKeyGDELCVSNWAOUAT-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
CID 103426599
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 144715507
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate (CID 103423163) is ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate is CCCNc1cc(N)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate?
The InChIKey is GDELCVSNWAOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-5-12-8-6-7(11)9(15-8)10(13)14-4-2/h6,12H,3-5,11H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate?
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103423163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).