N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide

C30H29F3N6O4S — CID 162598422

About N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide

N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide (PubChem CID 162598422) has the molecular formula C30H29F3N6O4S and a molecular weight of 626.66 g/mol. Its IUPAC name is N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
• PubChem CID: 162598422
• Molecular Formula: C30H29F3N6O4S
• Molecular Weight: 626.66 g/mol
• Exact Mass: 626.19
• IUPAC Name: N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
• SMILES: CN1C=c2ccc(=C3C=C(N(Cc4ccc(-c5nnc(C(F)(F)F)o5)cc4)C(=O)N4CCS(=O)(=O)CC4)C=CC3)cc2N1C
• InChI: InChI=1S/C30H29F3N6O4S/c1-36-19-24-11-10-23(17-26(24)37(36)2)22-4-3-5-25(16-22)39(29(40)38-12-14-44(41,42)15-13-38)18-20-6-8-21(9-7-20)27-34-35-28(43-27)30(31,32)33/h3,5-11,16-17,19H,4,12-15,18H2,1-2H3
• InChIKey: WVEHFWAGECUOQR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 103.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.66
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide?

The IUPAC name of N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide (CID 162598422) is N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide.

What is the SMILES notation for N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide?

The canonical SMILES for N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide is CN1C=c2ccc(=C3C=C(N(Cc4ccc(-c5nnc(C(F)(F)F)o5)cc4)C(=O)N4CCS(=O)(=O)CC4)C=CC3)cc2N1C.

What is the InChIKey of N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide?

The InChIKey is WVEHFWAGECUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O4S/c1-36-19-24-11-10-23(17-26(24)37(36)2)22-4-3-5-25(16-22)39(29(40)38-12-14-44(41,42)15-13-38)18-20-6-8-21(9-7-20)27-34-35-28(43-27)30(31,32)33/h3,5-11,16-17,19H,4,12-15,18H2,1-2H3.

What are the key properties of N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide?

N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 626.66 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,2-dimethylindazol-6-ylidene)cyclohexa-1,5-dien-1-yl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 162598422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).