(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C9H12N2OS — CID 126992843

IUPAC(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)C2)cs1
InChIInChI=1S/C9H12N2OS/c1-6-3-11(4-6)9(12)8-5-13-7(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyXZENDENUFPBYGQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.54
Rot. Bonds1

About (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 126992843) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID126992843
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)C2)cs1
InChIInChI=1S/C9H12N2OS/c1-6-3-11(4-6)9(12)8-5-13-7(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyXZENDENUFPBYGQ-UHFFFAOYSA-N
XLogP1.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80667838
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131687702
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 114801324
1-[(3R,4R)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135113927
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199184

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 126992843) is (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC(C)C2)cs1.
What is the InChIKey of (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XZENDENUFPBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-3-11(4-6)9(12)8-5-13-7(2)10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126992843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).