3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide

C12H18N4O3S — CID 103506605

IUPAC3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCC1(O)CCCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1
InChIInChI=1S/C12H18N4O3S/c1-12(19)3-2-4-16(5-12)11-6(9(14)17)7(13)8(20-11)10(15)18/h19H,2-5,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyVBLLJZXWDMIYKH-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.12
Rot. Bonds3

About 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide (PubChem CID 103506605) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
PubChem CID103506605
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCC1(O)CCCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1
InChIInChI=1S/C12H18N4O3S/c1-12(19)3-2-4-16(5-12)11-6(9(14)17)7(13)8(20-11)10(15)18/h19H,2-5,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyVBLLJZXWDMIYKH-UHFFFAOYSA-N
XLogP-0.12
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
4-amino-2-(3-hydroxy-3-methylpiperidin-1-yl)-5-propanoylthiophene-3-carboxamide
CID 103506544
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 103422547
5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
4-amino-5-cyano-2-(4-hydroxy-4-methylazepan-1-yl)thiophene-3-carboxamide
CID 107409265
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
1-[3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103506558
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide (CID 103506605) is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide is CC1(O)CCCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide?
The InChIKey is VBLLJZXWDMIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-12(19)3-2-4-16(5-12)11-6(9(14)17)7(13)8(20-11)10(15)18/h19H,2-5,13H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide?
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103506605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).