methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate

C10H15N3O3S — CID 103420209

IUPACmethyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCNC(=O)c1sc(N(C)C)c(C(=O)OC)c1N
InChIInChI=1S/C10H15N3O3S/c1-12-8(14)7-6(11)5(10(15)16-4)9(17-7)13(2)3/h11H2,1-4H3,(H,12,14)
InChIKeyHIUSJPCXEXEWOV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.54
Rot. Bonds3

About methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate

methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate (PubChem CID 103420209) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
PubChem CID103420209
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCNC(=O)c1sc(N(C)C)c(C(=O)OC)c1N
InChIInChI=1S/C10H15N3O3S/c1-12-8(14)7-6(11)5(10(15)16-4)9(17-7)13(2)3/h11H2,1-4H3,(H,12,14)
InChIKeyHIUSJPCXEXEWOV-UHFFFAOYSA-N
XLogP0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103420269
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
methyl 4-amino-2-(dimethylamino)-5-(2-methylpropanoyl)thiophene-3-carboxylate
CID 103420280
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103505718
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507353
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate (CID 103420209) is methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate is CNC(=O)c1sc(N(C)C)c(C(=O)OC)c1N.
What is the InChIKey of methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is HIUSJPCXEXEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-8(14)7-6(11)5(10(15)16-4)9(17-7)13(2)3/h11H2,1-4H3,(H,12,14).
What are the key properties of methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 103420209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).