methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate

C11H18N4O3S — CID 103424350

IUPACmethyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCCN(C)C)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O3S/c1-15(2)5-4-14-10-6(9(13)16)7(12)8(19-10)11(17)18-3/h14H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyGCTUETNMYMHKQS-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.19
Rot. Bonds6

About methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate

methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate (PubChem CID 103424350) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
PubChem CID103424350
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Namemethyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCCN(C)C)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O3S/c1-15(2)5-4-14-10-6(9(13)16)7(12)8(19-10)11(17)18-3/h14H,4-5,12H2,1-3H3,(H2,13,16)
InChIKeyGCTUETNMYMHKQS-UHFFFAOYSA-N
XLogP0.19
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-O-ethyl 2-O-methyl 3-amino-5-[2-(dimethylamino)ethylamino]thiophene-2,4-dicarboxylate
CID 103424347
methyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-(dimethylcarbamoyl)thiophene-3-carboxylate
CID 103424361
methyl 4-amino-5-(cyclopropanecarbonyl)-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424345
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
methyl 4-amino-5-cyano-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424377
ethyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-propanoylthiophene-3-carboxylate
CID 103424394
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate (CID 103424350) is methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate is COC(=O)c1sc(NCCN(C)C)c(C(N)=O)c1N.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate?
The InChIKey is GCTUETNMYMHKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-15(2)5-4-14-10-6(9(13)16)7(12)8(19-10)11(17)18-3/h14H,4-5,12H2,1-3H3,(H2,13,16).
What are the key properties of methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 0.19, 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-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103424350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).