4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C19H14F4N2O2S2 — CID 2320375

IUPAC4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S2/c20-17(21)27-13-5-3-12(4-6-13)16(26)25-19-24-10-15(29-19)9-11-1-7-14(8-2-11)28-18(22)23/h1-8,10,17-18H,9H2,(H,24,25,26)
InChIKeyBRKGVCZDLBFEPZ-UHFFFAOYSA-N
MW442.46 g/mol
LogP5.90
Rot. Bonds8

About 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 2320375) has the molecular formula C19H14F4N2O2S2 and a molecular weight of 442.46 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID2320375
Molecular FormulaC19H14F4N2O2S2
Molecular Weight442.46 g/mol
Exact Mass442.04
IUPAC Name4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F4N2O2S2/c20-17(21)27-13-5-3-12(4-6-13)16(26)25-19-24-10-15(29-19)9-11-1-7-14(8-2-11)28-18(22)23/h1-8,10,17-18H,9H2,(H,24,25,26)
InChIKeyBRKGVCZDLBFEPZ-UHFFFAOYSA-N
XLogP5.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 2320375) is 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BRKGVCZDLBFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S2/c20-17(21)27-13-5-3-12(4-6-13)16(26)25-19-24-10-15(29-19)9-11-1-7-14(8-2-11)28-18(22)23/h1-8,10,17-18H,9H2,(H,24,25,26).
What are the key properties of 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 442.46 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2320375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).