3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide

C12H20N4O2S — CID 103423183

IUPAC3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
SMILESCCCNc1sc(C(=O)N(C)C)c(N)c1C(=O)NC
InChIInChI=1S/C12H20N4O2S/c1-5-6-15-11-7(10(17)14-2)8(13)9(19-11)12(18)16(3)4/h15H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyVKVYCKALRUAIKQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide

3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide (PubChem CID 103423183) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
PubChem CID103423183
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
SMILESCCCNc1sc(C(=O)N(C)C)c(N)c1C(=O)NC
InChIInChI=1S/C12H20N4O2S/c1-5-6-15-11-7(10(17)14-2)8(13)9(19-11)12(18)16(3)4/h15H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyVKVYCKALRUAIKQ-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
methyl 4-amino-2-[2-(dimethylamino)ethylamino]-5-(dimethylcarbamoyl)thiophene-3-carboxylate
CID 103424361
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide (CID 103423183) is 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide is CCCNc1sc(C(=O)N(C)C)c(N)c1C(=O)NC.
What is the InChIKey of 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The InChIKey is VKVYCKALRUAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-5-6-15-11-7(10(17)14-2)8(13)9(19-11)12(18)16(3)4/h15H,5-6,13H2,1-4H3,(H,14,17).
What are the key properties of 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).