4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one

C12H21N3OS — CID 119919159

IUPAC4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one
SMILESCNC1CCCN(CCn2c(C)csc2=O)C1
InChIInChI=1S/C12H21N3OS/c1-10-9-17-12(16)15(10)7-6-14-5-3-4-11(8-14)13-2/h9,11,13H,3-8H2,1-2H3
InChIKeyWFFVVJIMNLSUSG-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.90
Rot. Bonds4

About 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one (PubChem CID 119919159) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one
PubChem CID119919159
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one
SMILESCNC1CCCN(CCn2c(C)csc2=O)C1
InChIInChI=1S/C12H21N3OS/c1-10-9-17-12(16)15(10)7-6-14-5-3-4-11(8-14)13-2/h9,11,13H,3-8H2,1-2H3
InChIKeyWFFVVJIMNLSUSG-UHFFFAOYSA-N
XLogP0.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one (CID 119919159) is 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one is CNC1CCCN(CCn2c(C)csc2=O)C1.
What is the InChIKey of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one?
The InChIKey is WFFVVJIMNLSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-9-17-12(16)15(10)7-6-14-5-3-4-11(8-14)13-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 119919159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).