2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide

C18H17F2N3O2S2 — CID 22970895

IUPAC2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1
InChIInChI=1S/C18H17F2N3O2S2/c1-3-13-8-21-17(25-13)10(2)26-16-9-22-18(27-16)23-15(24)6-11-4-5-12(19)7-14(11)20/h4-5,7-10H,3,6H2,1-2H3,(H,22,23,24)
InChIKeyPJZINFZERZJMAO-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.01
Rot. Bonds7

About 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970895) has the molecular formula C18H17F2N3O2S2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970895
Molecular FormulaC18H17F2N3O2S2
Molecular Weight409.48 g/mol
Exact Mass409.07
IUPAC Name2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1
InChIInChI=1S/C18H17F2N3O2S2/c1-3-13-8-21-17(25-13)10(2)26-16-9-22-18(27-16)23-15(24)6-11-4-5-12(19)7-14(11)20/h4-5,7-10H,3,6H2,1-2H3,(H,22,23,24)
InChIKeyPJZINFZERZJMAO-UHFFFAOYSA-N
XLogP5.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970895) is 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is CCc1cnc(C(C)Sc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PJZINFZERZJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S2/c1-3-13-8-21-17(25-13)10(2)26-16-9-22-18(27-16)23-15(24)6-11-4-5-12(19)7-14(11)20/h4-5,7-10H,3,6H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).