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

C6H11NOS — CID 91228224

IUPACethane;3-methyl-1,3-thiazol-2-one
SMILESCC.Cn1ccsc1=O
InChIInChI=1S/C4H5NOS.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3
InChIKeyPYHOLNXUAULVMS-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.47
Rot. Bonds

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

ethane;3-methyl-1,3-thiazol-2-one (PubChem CID 91228224) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is ethane;3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-thiazol-2-one
PubChem CID91228224
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Nameethane;3-methyl-1,3-thiazol-2-one
SMILESCC.Cn1ccsc1=O
InChIInChI=1S/C4H5NOS.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3
InChIKeyPYHOLNXUAULVMS-UHFFFAOYSA-N
XLogP1.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
N-acetylthiazoline
CID 68856940
Thiazole-3-carbonyl chloride
CID 129745323
3-(3-Fluoropropyl)-1,3-thiazol-2-one
CID 115706050
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-(2-Fluorobutyl)-1,3-thiazol-2-one
CID 126994849
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Methyl-2-oxo-1,3-thiazol-3-ium-3-carbaldehyde
CID 17980899
3-Acetyl-3-methyl-1,3-thiazol-3-ium-2-one
CID 17980944
3-ethyl-2H-1,3-thiazole
CID 18381193
2H-1,3-thiazole-3-carbaldehyde
CID 22358665
3-Ethyl-2-methylidene-1,3-thiazole
CID 53650336

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-thiazol-2-one?
The IUPAC name of ethane;3-methyl-1,3-thiazol-2-one (CID 91228224) is ethane;3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for ethane;3-methyl-1,3-thiazol-2-one?
The canonical SMILES for ethane;3-methyl-1,3-thiazol-2-one is CC.Cn1ccsc1=O.
What is the InChIKey of ethane;3-methyl-1,3-thiazol-2-one?
The InChIKey is PYHOLNXUAULVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3-thiazol-2-one?
ethane;3-methyl-1,3-thiazol-2-one has a molecular weight of 145.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 91228224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).