1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone

C11H5ClF3NOS — CID 122212027

IUPAC1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(-c2ccc(Cl)cc2)s1)C(F)(F)F
InChIInChI=1S/C11H5ClF3NOS/c12-7-3-1-6(2-4-7)8-5-16-10(18-8)9(17)11(13,14)15/h1-5H
InChIKeyKWXFCFHZYVRMFI-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.21
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone

1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone (PubChem CID 122212027) has the molecular formula C11H5ClF3NOS and a molecular weight of 291.68 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone
PubChem CID122212027
Molecular FormulaC11H5ClF3NOS
Molecular Weight291.68 g/mol
Exact Mass290.97
IUPAC Name1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(-c2ccc(Cl)cc2)s1)C(F)(F)F
InChIInChI=1S/C11H5ClF3NOS/c12-7-3-1-6(2-4-7)8-5-16-10(18-8)9(17)11(13,14)15/h1-5H
InChIKeyKWXFCFHZYVRMFI-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone (CID 122212027) is 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone is O=C(c1ncc(-c2ccc(Cl)cc2)s1)C(F)(F)F.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is KWXFCFHZYVRMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NOS/c12-7-3-1-6(2-4-7)8-5-16-10(18-8)9(17)11(13,14)15/h1-5H.
What are the key properties of 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone?
1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 291.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 122212027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).