methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate

C11H17N3O4S — CID 103425075

IUPACmethyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1C(N)=O
InChIInChI=1S/C11H17N3O4S/c1-5(4-17-2)14-10-6(9(13)15)7(12)8(19-10)11(16)18-3/h5,14H,4,12H2,1-3H3,(H2,13,15)
InChIKeyNIMODKPXEJKIAA-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.66
Rot. Bonds6

About methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate (PubChem CID 103425075) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
PubChem CID103425075
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
SMILESCOCC(C)Nc1sc(C(=O)OC)c(N)c1C(N)=O
InChIInChI=1S/C11H17N3O4S/c1-5(4-17-2)14-10-6(9(13)15)7(12)8(19-10)11(16)18-3/h5,14H,4,12H2,1-3H3,(H2,13,15)
InChIKeyNIMODKPXEJKIAA-UHFFFAOYSA-N
XLogP0.66
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
CID 103508521
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
ethyl 4-amino-2-(butan-2-ylamino)-5-carbamoylthiophene-3-carboxylate
CID 103423556
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
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-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate (CID 103425075) is methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate is COCC(C)Nc1sc(C(=O)OC)c(N)c1C(N)=O.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate?
The InChIKey is NIMODKPXEJKIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-5(4-17-2)14-10-6(9(13)15)7(12)8(19-10)11(16)18-3/h5,14H,4,12H2,1-3H3,(H2,13,15).
What are the key properties of methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103425075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).