ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate

C9H15NO2S — CID 145485640

IUPACethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCC.COC(=O)Cc1cnc(C)s1
InChIInChI=1S/C7H9NO2S.C2H6/c1-5-8-4-6(11-5)3-7(9)10-2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyBVWVERNHEMMQDD-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.19
Rot. Bonds2

About ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate

ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 145485640) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
PubChem CID145485640
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Nameethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCC.COC(=O)Cc1cnc(C)s1
InChIInChI=1S/C7H9NO2S.C2H6/c1-5-8-4-6(11-5)3-7(9)10-2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyBVWVERNHEMMQDD-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate (CID 145485640) is ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate is CC.COC(=O)Cc1cnc(C)s1.
What is the InChIKey of ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is BVWVERNHEMMQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C2H6/c1-5-8-4-6(11-5)3-7(9)10-2;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 201.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 145485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).