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

C10H13NO2S — CID 130660391

IUPAC1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone
SMILESCc1cc(C(=O)CC2CCCO2)sn1
InChIInChI=1S/C10H13NO2S/c1-7-5-10(14-11-7)9(12)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3
InChIKeySBEVPNILPJNKLJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.20
Rot. Bonds3

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

1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 130660391) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone
PubChem CID130660391
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone
SMILESCc1cc(C(=O)CC2CCCO2)sn1
InChIInChI=1S/C10H13NO2S/c1-7-5-10(14-11-7)9(12)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3
InChIKeySBEVPNILPJNKLJ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130604803
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CID 130604916
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CID 130654137
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CID 130719458
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CID 130764003
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CID 130803039
CID 130803039
CID 130977829
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CID 131038065
CID 131038065

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone (CID 130660391) is 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone is Cc1cc(C(=O)CC2CCCO2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is SBEVPNILPJNKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-5-10(14-11-7)9(12)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone?
1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 130660391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).