(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone

C10H11NO2S — CID 130764003

IUPAC(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
SMILESCc1cc(C(=O)C2C3COCC32)sn1
InChIInChI=1S/C10H11NO2S/c1-5-2-8(14-11-5)10(12)9-6-3-13-4-7(6)9/h2,6-7,9H,3-4H2,1H3
InChIKeyKGPQDWHTNWDUFE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.53
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone

(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone (PubChem CID 130764003) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
PubChem CID130764003
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
SMILESCc1cc(C(=O)C2C3COCC32)sn1
InChIInChI=1S/C10H11NO2S/c1-5-2-8(14-11-5)10(12)9-6-3-13-4-7(6)9/h2,6-7,9H,3-4H2,1H3
InChIKeyKGPQDWHTNWDUFE-UHFFFAOYSA-N
XLogP1.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.53
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)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone (CID 130764003) is (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone is Cc1cc(C(=O)C2C3COCC32)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The InChIKey is KGPQDWHTNWDUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-5-2-8(14-11-5)10(12)9-6-3-13-4-7(6)9/h2,6-7,9H,3-4H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
(3-methyl-1,2-thiazol-5-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone has a molecular weight of 209.27 g/mol, XLogP of 1.53, 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)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone is sourced from PubChem (CID 130764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).