1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone

C8H11NOS2 — CID 83881059

IUPAC1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCCSc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C8H11NOS2/c1-4-11-8-9-5(2)7(12-8)6(3)10/h4H2,1-3H3
InChIKeyLFHGYBGXEXRYMM-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone

1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 83881059) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID83881059
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCCSc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C8H11NOS2/c1-4-11-8-9-5(2)7(12-8)6(3)10/h4H2,1-3H3
InChIKeyLFHGYBGXEXRYMM-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-5-acetylthiazole
CID 520888
5-Acetyl-4-methylthiazole
CID 162292
2-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one
CID 12668422
1-(4-Methyl-2-(3-(piperidin-1-yl)propylthio)thiazol-5-yl)ethanone
CID 52941450
2-Bromo-1-(dimethyl-1,3-thiazol-5-yl)ethan-1-one hydrobromide
CID 12668423
1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 23590667
Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-, hydrochloride
CID 12429409
1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 24274409
1-[2-(2-Methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 61058984
1-(2-Chloro-4-methylthiazol-5-yl)ethanone
CID 57190392
1-[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 21043934
1-[4-(Difluoromethyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 59858036

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone (CID 83881059) is 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone is CCSc1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is LFHGYBGXEXRYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-4-11-8-9-5(2)7(12-8)6(3)10/h4H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone?
1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 201.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 83881059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).