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

C10H13NO2S — CID 130604774

IUPAC(2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2C)sn1
InChIInChI=1S/C10H13NO2S/c1-6-5-9(14-11-6)10(12)8-3-4-13-7(8)2/h5,7-8H,3-4H2,1-2H3
InChIKeyOKSLIFFKOCDQER-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.06
Rot. Bonds2

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

(2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone (PubChem CID 130604774) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
PubChem CID130604774
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCOC2C)sn1
InChIInChI=1S/C10H13NO2S/c1-6-5-9(14-11-6)10(12)8-3-4-13-7(8)2/h5,7-8H,3-4H2,1-2H3
InChIKeyOKSLIFFKOCDQER-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82407164
CID 82407164
CID 127002570
CID 127002570
CID 127003933
CID 127003933
CID 130604778
CID 130604778
CID 130604803
CID 130604803
CID 130604916
CID 130604916
CID 130654137
CID 130654137
CID 130660391
CID 130660391
CID 130673495
CID 130673495
CID 130695802
CID 130695802

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The IUPAC name of (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone (CID 130604774) is (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone is Cc1cc(C(=O)C2CCOC2C)sn1.
What is the InChIKey of (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The InChIKey is OKSLIFFKOCDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-5-9(14-11-6)10(12)8-3-4-13-7(8)2/h5,7-8H,3-4H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone?
(2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130604774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).