1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone

C6H9NOS — CID 141312711

IUPAC1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC(=O)N1C=CSC1C
InChIInChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h3-4,6H,1-2H3
InChIKeyRJEDCNRAROAEFX-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.40
Rot. Bonds

About 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone

1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone (PubChem CID 141312711) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone
PubChem CID141312711
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC(=O)N1C=CSC1C
InChIInChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h3-4,6H,1-2H3
InChIKeyRJEDCNRAROAEFX-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetylthiazoline
CID 68856940
Thiazolidine, 3-acetyl-2-methylene-
CID 568138
4-Methyl-1,4-thiazin-3-one
CID 12485433
4-Ethyl-1,4-thiazin-3-one
CID 12485434
4-(Propan-2-yl)-2H-1,4-thiazin-3(4H)-one
CID 12485435
4-(2-Fluoroethyl)-1,4-thiazin-3-one
CID 84406467
3-Acetyl-1,3-thiazol-2-one
CID 12021789
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Acetyl-3-methyl-1,3-thiazol-3-ium-2-one
CID 17980944
1-(2,3-Dihydro-1,4-thiazin-4-yl)ethanone
CID 56637425
3-Ethenyl-1,3-thiazolidin-4-one
CID 87981328
3-Ethyl-2-methylidene-1,3-thiazolidin-4-one
CID 89992209

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone (CID 141312711) is 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone is CC(=O)N1C=CSC1C.
What is the InChIKey of 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is RJEDCNRAROAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h3-4,6H,1-2H3.
What are the key properties of 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone?
1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 143.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 141312711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).