1-(1,3-thiazol-5-yl)ethanone

C5H5NOS — CID 14042329

IUPAC1-(1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cncs1
InChIInChI=1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
InChIKeyDBNLYQBYTOYCGO-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.35
Rot. Bonds1

About 1-(1,3-thiazol-5-yl)ethanone

1-(1,3-thiazol-5-yl)ethanone (PubChem CID 14042329) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)ethanone
PubChem CID14042329
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name1-(1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1cncs1
InChIInChI=1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
InChIKeyDBNLYQBYTOYCGO-UHFFFAOYSA-N
XLogP1.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Dimethylamino)-1,3-thiazol-5-yl]ethanone
CID 822439
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one
CID 13130946
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
Ethanone, 2-chloro-1-(2-chloro-5-thiazolyl)-
CID 53407596
1-(2-Bromo-1,3-thiazol-5-yl)ethan-1-one
CID 57562813
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 54594116
2-Amino-1-(1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 132300772
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
5-Thiazolyl ketone
CID 19047441
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1,3-thiazol-5-yl)ethanone (CID 14042329) is 1-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1,3-thiazol-5-yl)ethanone is CC(=O)c1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)ethanone?
The InChIKey is DBNLYQBYTOYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3.
What are the key properties of 1-(1,3-thiazol-5-yl)ethanone?
1-(1,3-thiazol-5-yl)ethanone has a molecular weight of 127.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 14042329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).