2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C17H15F2N3O2S2 — CID 22970906

IUPAC2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(CSc2cnc(NC(=O)Cc3c(F)cccc3F)s2)o1
InChIInChI=1S/C17H15F2N3O2S2/c1-2-10-7-20-15(24-10)9-25-16-8-21-17(26-16)22-14(23)6-11-12(18)4-3-5-13(11)19/h3-5,7-8H,2,6,9H2,1H3,(H,21,22,23)
InChIKeyGKNDIRKKEMPTSF-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.45
Rot. Bonds7

About 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970906) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970906
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(CSc2cnc(NC(=O)Cc3c(F)cccc3F)s2)o1
InChIInChI=1S/C17H15F2N3O2S2/c1-2-10-7-20-15(24-10)9-25-16-8-21-17(26-16)22-14(23)6-11-12(18)4-3-5-13(11)19/h3-5,7-8H,2,6,9H2,1H3,(H,21,22,23)
InChIKeyGKNDIRKKEMPTSF-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970906) is 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CCc1cnc(CSc2cnc(NC(=O)Cc3c(F)cccc3F)s2)o1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GKNDIRKKEMPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c1-2-10-7-20-15(24-10)9-25-16-8-21-17(26-16)22-14(23)6-11-12(18)4-3-5-13(11)19/h3-5,7-8H,2,6,9H2,1H3,(H,21,22,23).
What are the key properties of 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).