methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate

C13H22N2O4S — CID 103425026

IUPACmethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1OC(C)C
InChIInChI=1S/C13H22N2O4S/c1-7(2)19-10-9(14)11(13(16)18-5)20-12(10)15-8(3)6-17-4/h7-8,15H,6,14H2,1-5H3
InChIKeyQCSSJAAINKXERM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.35
Rot. Bonds7

About methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate

methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate (PubChem CID 103425026) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
PubChem CID103425026
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Namemethyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1OC(C)C
InChIInChI=1S/C13H22N2O4S/c1-7(2)19-10-9(14)11(13(16)18-5)20-12(10)15-8(3)6-17-4/h7-8,15H,6,14H2,1-5H3
InChIKeyQCSSJAAINKXERM-UHFFFAOYSA-N
XLogP2.35
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425110
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate (CID 103425026) is methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate is COCC(C)Nc1sc(C(=O)OC)c(N)c1OC(C)C.
What is the InChIKey of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate?
The InChIKey is QCSSJAAINKXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-7(2)19-10-9(14)11(13(16)18-5)20-12(10)15-8(3)6-17-4/h7-8,15H,6,14H2,1-5H3.
What are the key properties of methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate?
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate is sourced from PubChem (CID 103425026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).