(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone

C11H16N2O3S2 — CID 139013552

IUPAC(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CC(S(C)(=O)=O)C2)s1
InChIInChI=1S/C11H16N2O3S2/c1-7(2)10-12-4-9(17-10)11(14)13-5-8(6-13)18(3,15)16/h4,7-8H,5-6H2,1-3H3
InChIKeyOXHRJMUCVJTFRB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.14
Rot. Bonds3

About (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone

(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 139013552) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID139013552
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncc(C(=O)N2CC(S(C)(=O)=O)C2)s1
InChIInChI=1S/C11H16N2O3S2/c1-7(2)10-12-4-9(17-10)11(14)13-5-8(6-13)18(3,15)16/h4,7-8H,5-6H2,1-3H3
InChIKeyOXHRJMUCVJTFRB-UHFFFAOYSA-N
XLogP1.14
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 146123255
(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 120995259
(2S,3S)-2-methyl-1-(2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116782
1-(2-propan-2-yl-1,3-thiazole-5-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513157
(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone
CID 82511876
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120741714
5-methylsulfonyl-2-propan-2-yl-1,3-thiazole
CID 146520480
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 114267526
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 120521194
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805511
(3S,4S)-4-methyl-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952162

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 139013552) is (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone is CC(C)c1ncc(C(=O)N2CC(S(C)(=O)=O)C2)s1.
What is the InChIKey of (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is OXHRJMUCVJTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7(2)10-12-4-9(17-10)11(14)13-5-8(6-13)18(3,15)16/h4,7-8H,5-6H2,1-3H3.
What are the key properties of (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone?
(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 139013552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).