3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

C13H22N4O2S — CID 103427394

IUPAC3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC2CCN(C)CC2)c(OC)c1N
InChIInChI=1S/C13H22N4O2S/c1-15-12(18)11-9(14)10(19-3)13(20-11)16-8-4-6-17(2)7-5-8/h8,16H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyYOGOYQKZTURFCR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.20
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (PubChem CID 103427394) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
PubChem CID103427394
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC2CCN(C)CC2)c(OC)c1N
InChIInChI=1S/C13H22N4O2S/c1-15-12(18)11-9(14)10(19-3)13(20-11)16-8-4-6-17(2)7-5-8/h8,16H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyYOGOYQKZTURFCR-UHFFFAOYSA-N
XLogP1.20
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (CID 103427394) is 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is CNC(=O)c1sc(NC2CCN(C)CC2)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is YOGOYQKZTURFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-15-12(18)11-9(14)10(19-3)13(20-11)16-8-4-6-17(2)7-5-8/h8,16H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103427394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).