N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide

C24H20F3N5O3S2 — CID 171513973

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide (PubChem CID 171513973) has the molecular formula C24H20F3N5O3S2 and a molecular weight of 547.58 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide
• PubChem CID: 171513973
• Molecular Formula: C24H20F3N5O3S2
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.10
• IUPAC Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide
• SMILES: O=C(N1CCS(=O)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(-c2cncs2)c1
• InChI: InChI=1S/C24H20F3N5O3S2/c25-19-11-16(22-29-30-23(35-22)21(26)27)4-5-17(19)13-32(24(33)31-6-8-37(34)9-7-31)18-3-1-2-15(10-18)20-12-28-14-36-20/h1-5,10-12,14,21H,6-9,13H2
• InChIKey: FNZAHKLFTIIWNF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 92.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide?

The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide (CID 171513973) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide.

What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide?

The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide is O=C(N1CCS(=O)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(-c2cncs2)c1.

What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide?

The InChIKey is FNZAHKLFTIIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S2/c25-19-11-16(22-29-30-23(35-22)21(26)27)4-5-17(19)13-32(24(33)31-6-8-37(34)9-7-31)18-3-1-2-15(10-18)20-12-28-14-36-20/h1-5,10-12,14,21H,6-9,13H2.

What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide?

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 547.58 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 171513973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).