(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone

C11H15NO2S — CID 130654137

IUPAC(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCOCC2C)sn1
InChIInChI=1S/C11H15NO2S/c1-7-6-14-4-3-9(7)11(13)10-5-8(2)12-15-10/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMBVVXIWWSBCXTA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.31
Rot. Bonds2

About (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone

(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone (PubChem CID 130654137) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
PubChem CID130654137
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCOCC2C)sn1
InChIInChI=1S/C11H15NO2S/c1-7-6-14-4-3-9(7)11(13)10-5-8(2)12-15-10/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMBVVXIWWSBCXTA-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 131181403
1-(5-Butyl-1,2-thiazol-3-yl)-3-(oxolan-3-yl)propan-1-one
CID 157946560
3-(Oxan-4-yl)-1,2-thiazole-5-carbaldehyde
CID 82398855
2-Cyclopropyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone
CID 127002570
(3-Methyl-1,2-thiazol-5-yl)-(oxan-4-yl)methanone
CID 127003933
2-Cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone
CID 130604750
(2-Methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
CID 130604774
2,2-Dimethyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-one
CID 130604778
(3-Methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone
CID 130604916
(2-Methylcyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
CID 130625476
1-(3-Methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone
CID 130660391
1-(3-Methyl-1,2-thiazol-5-yl)-2-(thian-4-yl)ethanone
CID 130685251

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The IUPAC name of (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone (CID 130654137) is (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The canonical SMILES for (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone is Cc1cc(C(=O)C2CCOCC2C)sn1.
What is the InChIKey of (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The InChIKey is MBVVXIWWSBCXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-6-14-4-3-9(7)11(13)10-5-8(2)12-15-10/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
(3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone has a molecular weight of 225.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).