5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

C17H14FNOS2 — CID 155543088

IUPAC5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
InChIKeyAXENRPOALXGSFW-JTSKRJEESA-N
MW331.44 g/mol
LogP4.32
Rot. Bonds5

About 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 155543088) has the molecular formula C17H14FNOS2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
PubChem CID155543088
Molecular FormulaC17H14FNOS2
Molecular Weight331.44 g/mol
Exact Mass331.05
IUPAC Name5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
InChIKeyAXENRPOALXGSFW-JTSKRJEESA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CE-123
CID 118871455
Benzyl (2-chloro-1,3-thiazol-5-yl)methyl sulfone
CID 1480678
5-[[(S)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155510548
5-[[(R)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155513656
5-[[(R)-[(R)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155515030
5-[Bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155517422
5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155522684
5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 155525160
5-[[(S)-[(R)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155527331
5-[[(R)-[(R)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155529810
5-[[(S)-[(S)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155534211
5-[Bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155534330

Frequently Asked Questions

What is the IUPAC name of 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (CID 155543088) is 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is AXENRPOALXGSFW-JTSKRJEESA-N. The full InChI is InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1.
What are the key properties of 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(S)-[(S)-(4-fluorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 155543088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).