2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole

C19H17F2NO3S3 — CID 167344279

IUPAC2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole
SMILESCC(C)CS(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO3S3/c1-12(2)11-27(23)19-18(28(24,25)16-8-6-14(20)7-9-16)22-17(26-19)13-4-3-5-15(21)10-13/h3-10,12H,11H2,1-2H3
InChIKeyOGWWXSRVNOMRTR-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.68
Rot. Bonds6

About 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole

2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole (PubChem CID 167344279) has the molecular formula C19H17F2NO3S3 and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole
PubChem CID167344279
Molecular FormulaC19H17F2NO3S3
Molecular Weight441.55 g/mol
Exact Mass441.03
IUPAC Name2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole
SMILESCC(C)CS(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO3S3/c1-12(2)11-27(23)19-18(28(24,25)16-8-6-14(20)7-9-16)22-17(26-19)13-4-3-5-15(21)10-13/h3-10,12H,11H2,1-2H3
InChIKeyOGWWXSRVNOMRTR-UHFFFAOYSA-N
XLogP4.68
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
CID 167344236
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
CID 167344371
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
CID 167344429
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
CID 167344425
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
CID 7518305
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
1-[2-(3-fluorophenyl)-4-methoxy-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 118609241
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole?
The IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole (CID 167344279) is 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole is CC(C)CS(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole?
The InChIKey is OGWWXSRVNOMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3S3/c1-12(2)11-27(23)19-18(28(24,25)16-8-6-14(20)7-9-16)22-17(26-19)13-4-3-5-15(21)10-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole?
2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole has a molecular weight of 441.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(2-methylpropylsulfinyl)-1,3-thiazole is sourced from PubChem (CID 167344279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).