3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one

C9H14N2OS — CID 130530898

IUPAC3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CNC2)c1C
InChIInChI=1S/C9H14N2OS/c1-6-7(2)13-9(12)11(6)5-8-3-10-4-8/h8,10H,3-5H2,1-2H3
InChIKeyPUUFRJCPKZTUCQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.75
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 130530898) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID130530898
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CNC2)c1C
InChIInChI=1S/C9H14N2OS/c1-6-7(2)13-9(12)11(6)5-8-3-10-4-8/h8,10H,3-5H2,1-2H3
InChIKeyPUUFRJCPKZTUCQ-UHFFFAOYSA-N
XLogP0.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azetidin-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 107391268
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534464
3-(3-amino-2,2-dimethylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 131007584
4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
CID 119403331
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532672
4,5-dimethyl-3-[2-(sulfanylmethyl)prop-2-enyl]-1,3-thiazol-2-one
CID 103073975
3-[(2R)-3-amino-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 126975122
3-(2,2-diethoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63630267
4-(azetidin-3-ylmethyl)piperazine-2,6-dione
CID 130530858
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119645145
3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 154783210
1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione
CID 130530892

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 130530898) is 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC2CNC2)c1C.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is PUUFRJCPKZTUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-7(2)13-9(12)11(6)5-8-3-10-4-8/h8,10H,3-5H2,1-2H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 130530898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).