3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one

C10H14N2OS — CID 131031717

IUPAC3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
SMILESCC(C)(C)C1C(=O)NC1c1cncs1
InChIInChI=1S/C10H14N2OS/c1-10(2,3)7-8(12-9(7)13)6-4-11-5-14-6/h4-5,7-8H,1-3H3,(H,12,13)
InChIKeyGIOGWDZXJQLWMO-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.98
Rot. Bonds1

About 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one

3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one (PubChem CID 131031717) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
PubChem CID131031717
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one
SMILESCC(C)(C)C1C(=O)NC1c1cncs1
InChIInChI=1S/C10H14N2OS/c1-10(2,3)7-8(12-9(7)13)6-4-11-5-14-6/h4-5,7-8H,1-3H3,(H,12,13)
InChIKeyGIOGWDZXJQLWMO-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxyphenyl)-1-[2-oxo-4-(1,3-thiazol-5-yl)azetidin-3-yl]ethyl] acetate
CID 139699990
2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
CID 136706809
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
3-(1,3-thiazol-5-yl)-1,3-dihydroindol-2-one
CID 151897433
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
CID 174554546
2-(1,3-thiazol-5-yl)cyclohexan-1-amine
CID 174691512
5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
CID 177219966
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
5-(4,5-dihydro-1,3-thiazol-5-yl)-1,3-thiazole
CID 146424213
N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
CID 164650946
4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
CID 176748808
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one?
The IUPAC name of 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one (CID 131031717) is 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one is CC(C)(C)C1C(=O)NC1c1cncs1.
What is the InChIKey of 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one?
The InChIKey is GIOGWDZXJQLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(2,3)7-8(12-9(7)13)6-4-11-5-14-6/h4-5,7-8H,1-3H3,(H,12,13).
What are the key properties of 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one?
3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(1,3-thiazol-5-yl)azetidin-2-one is sourced from PubChem (CID 131031717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).