methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate

C8H11N3O3S — CID 103424219

IUPACmethyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
SMILESCNc1sc(C(=O)OC)c(N)c1C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-11-7-3(6(10)12)4(9)5(15-7)8(13)14-2/h11H,9H2,1-2H3,(H2,10,12)
InChIKeyCRGAAUGQXZEEDZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.26
Rot. Bonds3

About methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate (PubChem CID 103424219) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
PubChem CID103424219
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
SMILESCNc1sc(C(=O)OC)c(N)c1C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-11-7-3(6(10)12)4(9)5(15-7)8(13)14-2/h11H,9H2,1-2H3,(H2,10,12)
InChIKeyCRGAAUGQXZEEDZ-UHFFFAOYSA-N
XLogP0.26
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
CID 103508521
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
CID 143196362
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate (CID 103424219) is methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate is CNc1sc(C(=O)OC)c(N)c1C(N)=O.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate?
The InChIKey is CRGAAUGQXZEEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-11-7-3(6(10)12)4(9)5(15-7)8(13)14-2/h11H,9H2,1-2H3,(H2,10,12).
What are the key properties of methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate has a molecular weight of 229.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103424219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).