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

C9H11NO2S — CID 130604916

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2)sn1
InChIInChI=1S/C9H11NO2S/c1-6-4-8(13-10-6)9(11)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3
InChIKeyPUKCHRORGFJGOJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.67
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone (PubChem CID 130604916) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone
PubChem CID130604916
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2)sn1
InChIInChI=1S/C9H11NO2S/c1-6-4-8(13-10-6)9(11)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3
InChIKeyPUKCHRORGFJGOJ-UHFFFAOYSA-N
XLogP1.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.67
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)-(oxolan-3-yl)methanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone (CID 130604916) is (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone is Cc1cc(C(=O)C2CCOC2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone?
The InChIKey is PUKCHRORGFJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-4-8(13-10-6)9(11)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone?
(3-methyl-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 1.67, 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)-(oxolan-3-yl)methanone is sourced from PubChem (CID 130604916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).