ethane;2-methyl-1,3-thiazol-4-one

C6H11NOS — CID 143629922

IUPACethane;2-methyl-1,3-thiazol-4-one
SMILESCC.CC1=NC(=O)CS1
InChIInChI=1S/C4H5NOS.C2H6/c1-3-5-4(6)2-7-3;1-2/h2H2,1H3;1-2H3
InChIKeyFOQMUTWFSRTERQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.70
Rot. Bonds

About ethane;2-methyl-1,3-thiazol-4-one

ethane;2-methyl-1,3-thiazol-4-one (PubChem CID 143629922) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is ethane;2-methyl-1,3-thiazol-4-one.

Molecular Properties

Compound Nameethane;2-methyl-1,3-thiazol-4-one
PubChem CID143629922
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Nameethane;2-methyl-1,3-thiazol-4-one
SMILESCC.CC1=NC(=O)CS1
InChIInChI=1S/C4H5NOS.C2H6/c1-3-5-4(6)2-7-3;1-2/h2H2,1H3;1-2H3
InChIKeyFOQMUTWFSRTERQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-thiazol-4-one?
The IUPAC name of ethane;2-methyl-1,3-thiazol-4-one (CID 143629922) is ethane;2-methyl-1,3-thiazol-4-one.
What is the SMILES notation for ethane;2-methyl-1,3-thiazol-4-one?
The canonical SMILES for ethane;2-methyl-1,3-thiazol-4-one is CC.CC1=NC(=O)CS1.
What is the InChIKey of ethane;2-methyl-1,3-thiazol-4-one?
The InChIKey is FOQMUTWFSRTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS.C2H6/c1-3-5-4(6)2-7-3;1-2/h2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-thiazol-4-one?
ethane;2-methyl-1,3-thiazol-4-one has a molecular weight of 145.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-thiazol-4-one is sourced from PubChem (CID 143629922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).