ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one

C10H19NO2S — CID 144511110

IUPACethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCC.COCCn1c(C)c(C)sc1=O
InChIInChI=1S/C8H13NO2S.C2H6/c1-6-7(2)12-8(10)9(6)4-5-11-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyICCWTNJMXMJSDI-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.20
Rot. Bonds3

About ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one

ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 144511110) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Nameethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID144511110
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCC.COCCn1c(C)c(C)sc1=O
InChIInChI=1S/C8H13NO2S.C2H6/c1-6-7(2)12-8(10)9(6)4-5-11-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyICCWTNJMXMJSDI-UHFFFAOYSA-N
XLogP2.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 144511110) is ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one is CC.COCCn1c(C)c(C)sc1=O.
What is the InChIKey of ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ICCWTNJMXMJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S.C2H6/c1-6-7(2)12-8(10)9(6)4-5-11-3;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one?
ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 217.33 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 ethane;3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 144511110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).