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

C5H3Cl2NOS — CID 90936169

IUPAC1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NOS/c1-2(9)3-4(6)8-5(7)10-3/h1H3
InChIKeyAEAWXRXSZKOWSA-UHFFFAOYSA-N
MW196.06 g/mol
LogP2.65
Rot. Bonds1

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

1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone (PubChem CID 90936169) has the molecular formula C5H3Cl2NOS and a molecular weight of 196.06 g/mol. Its IUPAC name is 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone
PubChem CID90936169
Molecular FormulaC5H3Cl2NOS
Molecular Weight196.06 g/mol
Exact Mass194.93
IUPAC Name1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NOS/c1-2(9)3-4(6)8-5(7)10-3/h1H3
InChIKeyAEAWXRXSZKOWSA-UHFFFAOYSA-N
XLogP2.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Dichlorothiazol-5-yl)-2,2,2-trifluoroethanone
CID 130132641
1-(4-Chloro-2-methoxy-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165838434
1-(4-Chloro-2-methoxy-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-one
CID 165841121
1-(2-Butylsulfinyl-4-chloro-1,3-thiazol-5-yl)ethanone
CID 19835039
1-(2-Butylsulfanyl-4-chloro-1,3-thiazol-5-yl)ethanone
CID 19835068
1-(4-Chloro-2-methyl-1,3-thiazol-5-yl)ethanone
CID 58742260
1-(4-Chlorothiazol-5-yl)ethanone
CID 117274660
1-(2,4-Dichloro-1,3-thiazol-5-yl)ethanone;ethane
CID 164604747
1-(4-Chloro-1,3-thiazol-5-yl)propan-1-one
CID 170755421
1-(2,4-Dichloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171594281
2-(5-Acetyl-4-chloro-1,3-thiazol-2-yl)acetamide
CID 171646378
1-(4-Chloro-2-methoxy-1,3-thiazol-5-yl)ethan-1-one
CID 138040204

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone (CID 90936169) is 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(Cl)nc1Cl.
What is the InChIKey of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone?
The InChIKey is AEAWXRXSZKOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NOS/c1-2(9)3-4(6)8-5(7)10-3/h1H3.
What are the key properties of 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone?
1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone has a molecular weight of 196.06 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 90936169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).