4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one

C17H13FN2O2S2 — CID 10150231

IUPAC4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2-c2cccc(F)c2)c(C)c1N=S=O
InChIInChI=1S/C17H13FN2O2S2/c1-10-6-7-14(11(2)16(10)19-24-22)15-9-23-17(21)20(15)13-5-3-4-12(18)8-13/h3-9H,1-2H3
InChIKeyGBAHACAMKRKULK-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.35
Rot. Bonds3

About 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one

4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one (PubChem CID 10150231) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one
PubChem CID10150231
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2-c2cccc(F)c2)c(C)c1N=S=O
InChIInChI=1S/C17H13FN2O2S2/c1-10-6-7-14(11(2)16(10)19-24-22)15-9-23-17(21)20(15)13-5-3-4-12(18)8-13/h3-9H,1-2H3
InChIKeyGBAHACAMKRKULK-UHFFFAOYSA-N
XLogP4.35
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one?
The IUPAC name of 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one (CID 10150231) is 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one is Cc1ccc(-c2csc(=O)n2-c2cccc(F)c2)c(C)c1N=S=O.
What is the InChIKey of 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one?
The InChIKey is GBAHACAMKRKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c1-10-6-7-14(11(2)16(10)19-24-22)15-9-23-17(21)20(15)13-5-3-4-12(18)8-13/h3-9H,1-2H3.
What are the key properties of 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one?
4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one has a molecular weight of 360.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-3-(sulfinylamino)phenyl]-3-(3-fluorophenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 10150231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).