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

C12H22ClN3OS — CID 119919158

IUPAC4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride
SMILESCNC1CCCN(CCn2c(C)csc2=O)C1.Cl
InChIInChI=1S/C12H21N3OS.ClH/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;1H
InChIKeyOBOROZMZWFOUES-UHFFFAOYSA-N
MW291.85 g/mol
LogP1.32
Rot. Bonds4

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

4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride (PubChem CID 119919158) has the molecular formula C12H22ClN3OS and a molecular weight of 291.85 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride
PubChem CID119919158
Molecular FormulaC12H22ClN3OS
Molecular Weight291.85 g/mol
Exact Mass291.12
IUPAC Name4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride
SMILESCNC1CCCN(CCn2c(C)csc2=O)C1.Cl
InChIInChI=1S/C12H21N3OS.ClH/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;1H
InChIKeyOBOROZMZWFOUES-UHFFFAOYSA-N
XLogP1.32
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 51.32
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;hydrochloride?
The IUPAC name of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride (CID 119919158) is 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride is CNC1CCCN(CCn2c(C)csc2=O)C1.Cl.
What is the InChIKey of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride?
The InChIKey is OBOROZMZWFOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.ClH/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;1H.
What are the key properties of 4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride?
4-methyl-3-[2-[3-(methylamino)piperidin-1-yl]ethyl]-1,3-thiazol-2-one;hydrochloride has a molecular weight of 291.85 g/mol, XLogP of 1.32, 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;hydrochloride is sourced from PubChem (CID 119919158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).