3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide

C13H22N4OS — CID 103507270

IUPAC3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CC(C)N(C)C(C)C2)cc1N
InChIInChI=1S/C13H22N4OS/c1-8-6-17(7-9(2)16(8)4)11-5-10(14)12(19-11)13(18)15-3/h5,8-9H,6-7,14H2,1-4H3,(H,15,18)
InChIKeyMRTNIIXZBNISJK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.22
Rot. Bonds2

About 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide

3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 103507270) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID103507270
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CC(C)N(C)C(C)C2)cc1N
InChIInChI=1S/C13H22N4OS/c1-8-6-17(7-9(2)16(8)4)11-5-10(14)12(19-11)13(18)15-3/h5,8-9H,6-7,14H2,1-4H3,(H,15,18)
InChIKeyMRTNIIXZBNISJK-UHFFFAOYSA-N
XLogP1.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422884
3-amino-4-cyano-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507262
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103418556
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
CID 103421549
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419290
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 103419327
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide (CID 103507270) is 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide is CNC(=O)c1sc(N2CC(C)N(C)C(C)C2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is MRTNIIXZBNISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8-6-17(7-9(2)16(8)4)11-5-10(14)12(19-11)13(18)15-3/h5,8-9H,6-7,14H2,1-4H3,(H,15,18).
What are the key properties of 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide?
3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103507270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).