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

C18H17F2N3O2S2 — CID 22970897

IUPAC2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1
InChIInChI=1S/C18H17F2N3O2S2/c1-10(2)14-7-21-16(25-14)9-26-17-8-22-18(27-17)23-15(24)5-11-3-4-12(19)6-13(11)20/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,23,24)
InChIKeyRBMPGAYYWSKRBO-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.01
Rot. Bonds7

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

2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970897) has the molecular formula C18H17F2N3O2S2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970897
Molecular FormulaC18H17F2N3O2S2
Molecular Weight409.48 g/mol
Exact Mass409.07
IUPAC Name2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1
InChIInChI=1S/C18H17F2N3O2S2/c1-10(2)14-7-21-16(25-14)9-26-17-8-22-18(27-17)23-15(24)5-11-3-4-12(19)6-13(11)20/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,23,24)
InChIKeyRBMPGAYYWSKRBO-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-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970897) is 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RBMPGAYYWSKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S2/c1-10(2)14-7-21-16(25-14)9-26-17-8-22-18(27-17)23-15(24)5-11-3-4-12(19)6-13(11)20/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2,4-difluorophenyl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-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-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).