4-ethyl-5-methyl-3H-1,3-thiazol-2-one

C6H9NOS — CID 43286731

IUPAC4-ethyl-5-methyl-3H-1,3-thiazol-2-one
SMILESCCc1[nH]c(=O)sc1C
InChIInChI=1S/C6H9NOS/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8)
InChIKeyICWPTIBZSSYWNH-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.31
Rot. Bonds1

About 4-ethyl-5-methyl-3H-1,3-thiazol-2-one

4-ethyl-5-methyl-3H-1,3-thiazol-2-one (PubChem CID 43286731) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-3H-1,3-thiazol-2-one
PubChem CID43286731
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name4-ethyl-5-methyl-3H-1,3-thiazol-2-one
SMILESCCc1[nH]c(=O)sc1C
InChIInChI=1S/C6H9NOS/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8)
InChIKeyICWPTIBZSSYWNH-UHFFFAOYSA-N
XLogP1.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-ethyl-5-methyl-3H-1,3-thiazol-2-one (CID 43286731) is 4-ethyl-5-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-ethyl-5-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-ethyl-5-methyl-3H-1,3-thiazol-2-one is CCc1[nH]c(=O)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-3H-1,3-thiazol-2-one?
The InChIKey is ICWPTIBZSSYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8).
What are the key properties of 4-ethyl-5-methyl-3H-1,3-thiazol-2-one?
4-ethyl-5-methyl-3H-1,3-thiazol-2-one has a molecular weight of 143.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).