2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide

C19H15F2N3O2S2 — CID 34518213

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C19H15F2N3O2S2/c1-11(25)22-13-3-5-14(6-4-13)27-10-18(26)24-19-23-17(9-28-19)15-8-12(20)2-7-16(15)21/h2-9H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyLRQOKQGGGOONIA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 34518213) has the molecular formula C19H15F2N3O2S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID34518213
Molecular FormulaC19H15F2N3O2S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C19H15F2N3O2S2/c1-11(25)22-13-3-5-14(6-4-13)27-10-18(26)24-19-23-17(9-28-19)15-8-12(20)2-7-16(15)21/h2-9H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyLRQOKQGGGOONIA-UHFFFAOYSA-N
XLogP4.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888834
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16529731
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 34518213) is 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LRQOKQGGGOONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S2/c1-11(25)22-13-3-5-14(6-4-13)27-10-18(26)24-19-23-17(9-28-19)15-8-12(20)2-7-16(15)21/h2-9H,10H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 34518213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).