3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H15F5N2OS2 — CID 162654564

IUPAC3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C18H15F5N2OS2/c19-28(20,21,22,23)16-8-4-7-14(11-16)17(26)24-10-9-15-12-27-18(25-15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,24,26)
InChIKeyCRWBPKOZRWIRTQ-UHFFFAOYSA-N
MW434.46 g/mol
LogP6.44
Rot. Bonds6

About 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 162654564) has the molecular formula C18H15F5N2OS2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID162654564
Molecular FormulaC18H15F5N2OS2
Molecular Weight434.46 g/mol
Exact Mass434.05
IUPAC Name3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C18H15F5N2OS2/c19-28(20,21,22,23)16-8-4-7-14(11-16)17(26)24-10-9-15-12-27-18(25-15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,24,26)
InChIKeyCRWBPKOZRWIRTQ-UHFFFAOYSA-N
XLogP6.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7216589
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432

Frequently Asked Questions

What is the IUPAC name of 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 162654564) is 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is CRWBPKOZRWIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2OS2/c19-28(20,21,22,23)16-8-4-7-14(11-16)17(26)24-10-9-15-12-27-18(25-15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,24,26).
What are the key properties of 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 434.46 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 162654564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).