(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C11H13NO2S — CID 130977829

IUPAC(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC2O3)sn1
InChIInChI=1S/C11H13NO2S/c1-6-4-10(15-12-6)11(13)8-5-7-2-3-9(8)14-7/h4,7-9H,2-3,5H2,1H3
InChIKeyZPPSXNFOXKOVCP-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.20
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 130977829) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID130977829
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC2O3)sn1
InChIInChI=1S/C11H13NO2S/c1-6-4-10(15-12-6)11(13)8-5-7-2-3-9(8)14-7/h4,7-9H,2-3,5H2,1H3
InChIKeyZPPSXNFOXKOVCP-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 130977829) is (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is Cc1cc(C(=O)C2CC3CCC2O3)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is ZPPSXNFOXKOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-6-4-10(15-12-6)11(13)8-5-7-2-3-9(8)14-7/h4,7-9H,2-3,5H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
(3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 130977829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).