3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

C10H16N4OS — CID 103419327

IUPAC3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCN1CCN(c2cc(N)c(C(N)=O)s2)CC1
InChIInChI=1S/C10H16N4OS/c1-13-2-4-14(5-3-13)8-6-7(11)9(16-8)10(12)15/h6H,2-5,11H2,1H3,(H2,12,15)
InChIKeyGONQHNUVMONFDU-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.18
Rot. Bonds2

About 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 103419327) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID103419327
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCN1CCN(c2cc(N)c(C(N)=O)s2)CC1
InChIInChI=1S/C10H16N4OS/c1-13-2-4-14(5-3-13)8-6-7(11)9(16-8)10(12)15/h6H,2-5,11H2,1H3,(H2,12,15)
InChIKeyGONQHNUVMONFDU-UHFFFAOYSA-N
XLogP0.18
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419290
1-[3-amino-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103420625
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]thiophene-2-carboxamide
CID 103421528
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
1-[3-amino-5-(1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103524875
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
methyl 4-amino-5-carbamoyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxylate
CID 103419338

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (CID 103419327) is 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is CN1CCN(c2cc(N)c(C(N)=O)s2)CC1.
What is the InChIKey of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is GONQHNUVMONFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-13-2-4-14(5-3-13)8-6-7(11)9(16-8)10(12)15/h6H,2-5,11H2,1H3,(H2,12,15).
What are the key properties of 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103419327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).