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

C5Cl2F3NOS — CID 130132641

IUPAC1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1sc(Cl)nc1Cl)C(F)(F)F
InChIInChI=1S/C5Cl2F3NOS/c6-3-1(13-4(7)11-3)2(12)5(8,9)10
InChIKeyIQXVGYDRPAABHV-UHFFFAOYSA-N
MW250.03 g/mol
LogP3.19
Rot. Bonds1

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

1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone (PubChem CID 130132641) has the molecular formula C5Cl2F3NOS and a molecular weight of 250.03 g/mol. Its IUPAC name is 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
PubChem CID130132641
Molecular FormulaC5Cl2F3NOS
Molecular Weight250.03 g/mol
Exact Mass248.90
IUPAC Name1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1sc(Cl)nc1Cl)C(F)(F)F
InChIInChI=1S/C5Cl2F3NOS/c6-3-1(13-4(7)11-3)2(12)5(8,9)10
InChIKeyIQXVGYDRPAABHV-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone (CID 130132641) is 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone is O=C(c1sc(Cl)nc1Cl)C(F)(F)F.
What is the InChIKey of 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is IQXVGYDRPAABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F3NOS/c6-3-1(13-4(7)11-3)2(12)5(8,9)10.
What are the key properties of 1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone?
1-(2,4-dichloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 250.03 g/mol, XLogP of 3.19, 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)-2,2,2-trifluoroethanone is sourced from PubChem (CID 130132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).