N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

C18H14F2N2OS2 — CID 84603565

IUPACN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1F
InChIInChI=1S/C18H14F2N2OS2/c19-13-7-5-12(6-8-13)18-21-14(10-25-18)9-24-11-17(23)22-16-4-2-1-3-15(16)20/h1-8,10H,9,11H2,(H,22,23)
InChIKeyDMJMLNCWUFRDLO-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.96
Rot. Bonds6

About N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 84603565) has the molecular formula C18H14F2N2OS2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID84603565
Molecular FormulaC18H14F2N2OS2
Molecular Weight376.45 g/mol
Exact Mass376.05
IUPAC NameN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1F
InChIInChI=1S/C18H14F2N2OS2/c19-13-7-5-12(6-8-13)18-21-14(10-25-18)9-24-11-17(23)22-16-4-2-1-3-15(16)20/h1-8,10H,9,11H2,(H,22,23)
InChIKeyDMJMLNCWUFRDLO-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46575785
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
N-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 34509783
N-(2,3-dichlorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 46581033
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
N-(2-fluorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581005
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide
CID 87033519
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 38636235
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 47093348
N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 84603565) is N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is O=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is DMJMLNCWUFRDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS2/c19-13-7-5-12(6-8-13)18-21-14(10-25-18)9-24-11-17(23)22-16-4-2-1-3-15(16)20/h1-8,10H,9,11H2,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 84603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).