ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate

C12H18N2O3S — CID 103424571

IUPACethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC2CC2)c(OC)c1N
InChIInChI=1S/C12H18N2O3S/c1-3-17-12(15)10-8(13)9(16-2)11(18-10)14-6-7-4-5-7/h7,14H,3-6,13H2,1-2H3
InChIKeyKIRGZJHGOUPLCK-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.34
Rot. Bonds6

About ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate

ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate (PubChem CID 103424571) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
PubChem CID103424571
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCC2CC2)c(OC)c1N
InChIInChI=1S/C12H18N2O3S/c1-3-17-12(15)10-8(13)9(16-2)11(18-10)14-6-7-4-5-7/h7,14H,3-6,13H2,1-2H3
InChIKeyKIRGZJHGOUPLCK-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618
ethyl 3-amino-4-carbamoyl-5-(cyclopropylmethylamino)thiophene-2-carboxylate
CID 103424622
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
ethyl 4-amino-5-carbamoyl-2-(cyclopropylmethylamino)thiophene-3-carboxylate
CID 103424634
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246
1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103430824
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
1-[3-amino-4-methoxy-5-[(1-methylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103431127
ethyl 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxylate
CID 107416210
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate (CID 103424571) is ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate is CCOC(=O)c1sc(NCC2CC2)c(OC)c1N.
What is the InChIKey of ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate?
The InChIKey is KIRGZJHGOUPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-12(15)10-8(13)9(16-2)11(18-10)14-6-7-4-5-7/h7,14H,3-6,13H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate?
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 103424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).