1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone

C9H8N2O2S — CID 2745414

IUPAC1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cc(C)on2)n1
InChIInChI=1S/C9H8N2O2S/c1-5-3-7(11-13-5)9-10-8(4-14-9)6(2)12/h3-4H,1-2H3
InChIKeyVBJKUYDRCXPWKB-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 2745414) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID2745414
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cc(C)on2)n1
InChIInChI=1S/C9H8N2O2S/c1-5-3-7(11-13-5)9-10-8(4-14-9)6(2)12/h3-4H,1-2H3
InChIKeyVBJKUYDRCXPWKB-UHFFFAOYSA-N
XLogP2.31
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
[2-imino-2-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethyl] benzoate
CID 20849639
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65198190
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64544855
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 91966328
1-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79712444
1-[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]ethanone
CID 64542813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone (CID 2745414) is 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2cc(C)on2)n1.
What is the InChIKey of 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is VBJKUYDRCXPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-3-7(11-13-5)9-10-8(4-14-9)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 208.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 2745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).