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

C17H13F2NOS2 — CID 155515202

IUPAC4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1cscn1)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)10-16-9-22-11-20-16/h1-9,11,17H,10H2
InChIKeyKPNXJZLZXZWKIO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds5

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

4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 155515202) has the molecular formula C17H13F2NOS2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID155515202
Molecular FormulaC17H13F2NOS2
Molecular Weight349.43 g/mol
Exact Mass349.04
IUPAC Name4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1cscn1)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)10-16-9-22-11-20-16/h1-9,11,17H,10H2
InChIKeyKPNXJZLZXZWKIO-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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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole (CID 155515202) is 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole is O=S(Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is KPNXJZLZXZWKIO-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)10-16-9-22-11-20-16/h1-9,11,17H,10H2.
What are the key properties of 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole?
4-[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 4-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 155515202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).