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

C9H11ClN2O2S — CID 164646354

IUPAC(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
SMILESCOC1(C)CN(C(=O)c2csc(Cl)n2)C1
InChIInChI=1S/C9H11ClN2O2S/c1-9(14-2)4-12(5-9)7(13)6-3-15-8(10)11-6/h3H,4-5H2,1-2H3
InChIKeyCLGHBDSBSFYWTO-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.66
Rot. Bonds2

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

(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone (PubChem CID 164646354) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
PubChem CID164646354
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
SMILESCOC1(C)CN(C(=O)c2csc(Cl)n2)C1
InChIInChI=1S/C9H11ClN2O2S/c1-9(14-2)4-12(5-9)7(13)6-3-15-8(10)11-6/h3H,4-5H2,1-2H3
InChIKeyCLGHBDSBSFYWTO-UHFFFAOYSA-N
XLogP1.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone (CID 164646354) is (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone is COC1(C)CN(C(=O)c2csc(Cl)n2)C1.
What is the InChIKey of (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?
The InChIKey is CLGHBDSBSFYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-9(14-2)4-12(5-9)7(13)6-3-15-8(10)11-6/h3H,4-5H2,1-2H3.
What are the key properties of (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?
(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone has a molecular weight of 246.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 164646354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).