4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

C11H19N3OS — CID 106381565

IUPAC4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1C(N)CCN(Cc2csc(=O)[nH]2)C1C
InChIInChI=1S/C11H19N3OS/c1-7-8(2)14(4-3-10(7)12)5-9-6-16-11(15)13-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyRDAQUACQFUSJAY-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.99
Rot. Bonds2

About 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381565) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381565
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1C(N)CCN(Cc2csc(=O)[nH]2)C1C
InChIInChI=1S/C11H19N3OS/c1-7-8(2)14(4-3-10(7)12)5-9-6-16-11(15)13-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyRDAQUACQFUSJAY-UHFFFAOYSA-N
XLogP0.99
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106381565) is 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC1C(N)CCN(Cc2csc(=O)[nH]2)C1C.
What is the InChIKey of 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RDAQUACQFUSJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-8(2)14(4-3-10(7)12)5-9-6-16-11(15)13-9/h6-8,10H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).