N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide

C25H25F3N6O4S — CID 140894890

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide (PubChem CID 140894890) has the molecular formula C25H25F3N6O4S and a molecular weight of 562.57 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide
• PubChem CID: 140894890
• Molecular Formula: C25H25F3N6O4S
• Molecular Weight: 562.57 g/mol
• Exact Mass: 562.16
• IUPAC Name: N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide
• SMILES: CC(C)n1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)C(=O)N3CCS(=O)(=O)CC3)cc21
• InChI: InChI=1S/C25H25F3N6O4S/c1-15(2)34-21-12-19(6-5-17(21)13-29-34)33(25(35)32-7-9-39(36,37)10-8-32)14-18-4-3-16(11-20(18)26)23-30-31-24(38-23)22(27)28/h3-6,11-13,15,22H,7-10,14H2,1-2H3
• InChIKey: LIMYRGLBIJDSBW-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 114.43 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide?

The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide (CID 140894890) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide.

What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide?

The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide is CC(C)n1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)C(=O)N3CCS(=O)(=O)CC3)cc21.

What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide?

The InChIKey is LIMYRGLBIJDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O4S/c1-15(2)34-21-12-19(6-5-17(21)13-29-34)33(25(35)32-7-9-39(36,37)10-8-32)14-18-4-3-16(11-20(18)26)23-30-31-24(38-23)22(27)28/h3-6,11-13,15,22H,7-10,14H2,1-2H3.

What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide?

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide has a molecular weight of 562.57 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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]-1,1-dioxo-N-(1-propan-2-ylindazol-6-yl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 140894890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).