3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C12H13NO2S2 — CID 62024336

IUPAC3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCc1ccc(C(=O)Cn2c(C)csc2=O)s1
InChIInChI=1S/C12H13NO2S2/c1-3-9-4-5-11(17-9)10(14)6-13-8(2)7-16-12(13)15/h4-5,7H,3,6H2,1-2H3
InChIKeyULYGFOVKMFDUDD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.73
Rot. Bonds4

About 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62024336) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62024336
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCc1ccc(C(=O)Cn2c(C)csc2=O)s1
InChIInChI=1S/C12H13NO2S2/c1-3-9-4-5-11(17-9)10(14)6-13-8(2)7-16-12(13)15/h4-5,7H,3,6H2,1-2H3
InChIKeyULYGFOVKMFDUDD-UHFFFAOYSA-N
XLogP2.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 62024336) is 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is CCc1ccc(C(=O)Cn2c(C)csc2=O)s1.
What is the InChIKey of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is ULYGFOVKMFDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-9-4-5-11(17-9)10(14)6-13-8(2)7-16-12(13)15/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 267.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).