5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one

C9H14N4OS — CID 102768578

IUPAC5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(N)s2)CCC1=O
InChIInChI=1S/C9H14N4OS/c1-13-5-6(2-3-8(13)14)12-9-11-4-7(10)15-9/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyHOYFIJBTRJAJRY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.76
Rot. Bonds2

About 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one

5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one (PubChem CID 102768578) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
PubChem CID102768578
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(N)s2)CCC1=O
InChIInChI=1S/C9H14N4OS/c1-13-5-6(2-3-8(13)14)12-9-11-4-7(10)15-9/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyHOYFIJBTRJAJRY-UHFFFAOYSA-N
XLogP0.76
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one (CID 102768578) is 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncc(N)s2)CCC1=O.
What is the InChIKey of 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is HOYFIJBTRJAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-13-5-6(2-3-8(13)14)12-9-11-4-7(10)15-9/h4,6H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 102768578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).