5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole

C17H13F2NOS2 — CID 155534330

IUPAC5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2
InChIKeyWGAYLKKCGZOQDP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds5

About 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole

5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 155534330) has the molecular formula C17H13F2NOS2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID155534330
Molecular FormulaC17H13F2NOS2
Molecular Weight349.43 g/mol
Exact Mass349.04
IUPAC Name5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2
InChIKeyWGAYLKKCGZOQDP-UHFFFAOYSA-N
XLogP4.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645256
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
2-(1,3-thiazol-5-ylmethylsulfinyl)propanoic acid
CID 112643655
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 13316557
5-fluoro-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115925028
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345
4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760174

Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole (CID 155534330) is 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole is O=S(Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is WGAYLKKCGZOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2.
What are the key properties of 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 349.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 155534330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).