4,5-dimethyl-3H-1,3-thiazol-2-one;ethane

C7H13NOS — CID 143431623

IUPAC4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
SMILESCC.Cc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS.C2H6/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1-2H3
InChIKeyAUYNXDALXNGALB-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds

About 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane

4,5-dimethyl-3H-1,3-thiazol-2-one;ethane (PubChem CID 143431623) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane.

Molecular Properties

Compound Name4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
PubChem CID143431623
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
SMILESCC.Cc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS.C2H6/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1-2H3
InChIKeyAUYNXDALXNGALB-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane?
The IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane (CID 143431623) is 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane.
What is the SMILES notation for 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane?
The canonical SMILES for 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane is CC.Cc1[nH]c(=O)sc1C.
What is the InChIKey of 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane?
The InChIKey is AUYNXDALXNGALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.C2H6/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1-2H3.
What are the key properties of 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane?
4,5-dimethyl-3H-1,3-thiazol-2-one;ethane has a molecular weight of 159.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3H-1,3-thiazol-2-one;ethane is sourced from PubChem (CID 143431623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).