3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide

C12H19N5O2S — CID 103419370

IUPAC3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCN(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N5O2S/c1-15-11(19)7-8(13)9(10(14)18)20-12(7)17-5-3-16(2)4-6-17/h3-6,13H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyOBLASOJZUPXLQP-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.46
Rot. Bonds3

About 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide

3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide (PubChem CID 103419370) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
PubChem CID103419370
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N2CCN(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N5O2S/c1-15-11(19)7-8(13)9(10(14)18)20-12(7)17-5-3-16(2)4-6-17/h3-6,13H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyOBLASOJZUPXLQP-UHFFFAOYSA-N
XLogP-0.46
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-amino-5-carbamoyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxylate
CID 103419338
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
methyl 3-amino-4-(methylcarbamoyl)-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419039
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
methyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418422
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
4-amino-N-methyl-2-(1,4-oxazepan-4-yl)-5-propanoylthiophene-3-carboxamide
CID 103421788
4-amino-2-(1,4-diazepan-1-yl)-N-methyl-5-propanoylthiophene-3-carboxamide
CID 103524842
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide (CID 103419370) is 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide is CNC(=O)c1c(N2CCN(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide?
The InChIKey is OBLASOJZUPXLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-15-11(19)7-8(13)9(10(14)18)20-12(7)17-5-3-16(2)4-6-17/h3-6,13H2,1-2H3,(H2,14,18)(H,15,19).
What are the key properties of 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide?
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103419370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).