2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole

C10H14N2O3S — CID 70845686

IUPAC2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole
SMILESCOC1CN(c2nc(C3OC(C)O3)cs2)C1
InChIInChI=1S/C10H14N2O3S/c1-6-14-9(15-6)8-5-16-10(11-8)12-3-7(4-12)13-2/h5-7,9H,3-4H2,1-2H3
InChIKeyYETKHICFQVYPBD-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole

2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole (PubChem CID 70845686) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole
PubChem CID70845686
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole
SMILESCOC1CN(c2nc(C3OC(C)O3)cs2)C1
InChIInChI=1S/C10H14N2O3S/c1-6-14-9(15-6)8-5-16-10(11-8)12-3-7(4-12)13-2/h5-7,9H,3-4H2,1-2H3
InChIKeyYETKHICFQVYPBD-UHFFFAOYSA-N
XLogP1.37
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methyl-1,3-dioxetan-2-yl)-2-[(2S)-2-methylpyrrolidin-1-yl]-1,3-thiazole
CID 70845679
2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-amine
CID 102547220
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
CID 103536912
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole
CID 70780976
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
CID 89222120
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 67579600
[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540681
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
CID 88917393
4-(4-methyl-1,3-dioxetan-2-yl)-2-(3-pyrimidin-2-yloxyazetidin-1-yl)-1,3-oxazole
CID 70845993

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole (CID 70845686) is 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole is COC1CN(c2nc(C3OC(C)O3)cs2)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole?
The InChIKey is YETKHICFQVYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-14-9(15-6)8-5-16-10(11-8)12-3-7(4-12)13-2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole?
2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole has a molecular weight of 242.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-4-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazole is sourced from PubChem (CID 70845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).