ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate

C13H22N2O3S — CID 103424037

IUPACethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(CC)CC)c(OC)c1N
InChIInChI=1S/C13H22N2O3S/c1-5-8(6-2)15-12-10(17-4)9(14)11(19-12)13(16)18-7-3/h8,15H,5-7,14H2,1-4H3
InChIKeyFWAGBZMGKADLBD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.12
Rot. Bonds7

About ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate

ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate (PubChem CID 103424037) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
PubChem CID103424037
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nameethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(CC)CC)c(OC)c1N
InChIInChI=1S/C13H22N2O3S/c1-5-8(6-2)15-12-10(17-4)9(14)11(19-12)13(16)18-7-3/h8,15H,5-7,14H2,1-4H3
InChIKeyFWAGBZMGKADLBD-UHFFFAOYSA-N
XLogP3.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
ethyl 4-amino-2-(pentan-3-ylamino)-5-propanoylthiophene-3-carboxylate
CID 103424125
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559
ethyl 3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophene-2-carboxylate
CID 106412840

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate (CID 103424037) is ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(CC)CC)c(OC)c1N.
What is the InChIKey of ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate?
The InChIKey is FWAGBZMGKADLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-8(6-2)15-12-10(17-4)9(14)11(19-12)13(16)18-7-3/h8,15H,5-7,14H2,1-4H3.
What are the key properties of ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate?
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate has a molecular weight of 286.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103424037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).