2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone

C10H13NO2S — CID 63564354

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone
SMILESCc1nc(CC(=O)C2CCOC2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)4-10(12)8-2-3-13-5-8/h6,8H,2-5H2,1H3
InChIKeyIXMWVCZIIIMIHY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 63564354) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone
PubChem CID63564354
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone
SMILESCc1nc(CC(=O)C2CCOC2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)4-10(12)8-2-3-13-5-8/h6,8H,2-5H2,1H3
InChIKeyIXMWVCZIIIMIHY-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-Difluoroethoxy)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 103147274
Ethyl 2-methyl-I(2)-oxo-4-thiazolebutanoate
CID 62797937
1-(Oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 88855066
3-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]oxolan-2-one
CID 117887821
Ethyl 2-ethyl-4-(2-methyl-1,3-thiazol-4-yl)-3-oxobutanoate
CID 55119516
Diethyl 2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]propanedioate
CID 62797595
Methyl 2-methyl-4-(2-methyl-1,3-thiazol-4-yl)-3-oxobutanoate
CID 62797596
Ethyl 4-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylbutanoate
CID 62797770
Methyl 2-ethyl-4-(2-methyl-1,3-thiazol-4-yl)-3-oxobutanoate
CID 62797771
Ethyl 2,2-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-3-oxobutanoate
CID 62797936
Methyl 4-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-ylbutanoate
CID 62797938
5-Methoxy-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 62798970

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone (CID 63564354) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone is Cc1nc(CC(=O)C2CCOC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is IXMWVCZIIIMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-11-9(6-14-7)4-10(12)8-2-3-13-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 63564354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).