1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone

C18H15FN2O3S2 — CID 10045909

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCS(=O)(=O)c1ccc(C(Nc2nccs2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-26(23,24)15-8-4-12(5-9-15)16(21-18-20-10-11-25-18)17(22)13-2-6-14(19)7-3-13/h2-11,16H,1H3,(H,20,21)
InChIKeyOGZJZJHCRLZWOA-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone

1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone (PubChem CID 10045909) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
PubChem CID10045909
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCS(=O)(=O)c1ccc(C(Nc2nccs2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-26(23,24)15-8-4-12(5-9-15)16(21-18-20-10-11-25-18)17(22)13-2-6-14(19)7-3-13/h2-11,16H,1H3,(H,20,21)
InChIKeyOGZJZJHCRLZWOA-UHFFFAOYSA-N
XLogP3.72
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone (CID 10045909) is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone is CS(=O)(=O)c1ccc(C(Nc2nccs2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
The InChIKey is OGZJZJHCRLZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-26(23,24)15-8-4-12(5-9-15)16(21-18-20-10-11-25-18)17(22)13-2-6-14(19)7-3-13/h2-11,16H,1H3,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone?
1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone has a molecular weight of 390.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone is sourced from PubChem (CID 10045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).