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

C22H21F3N4O4S — CID 162598419

IUPACN-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C22H21F3N4O4S/c1-15-13-16(19-26-27-20(33-19)22(23,24)25)7-8-17(15)14-29(18-5-3-2-4-6-18)21(30)28-9-11-34(31,32)12-10-28/h2-8,13H,9-12,14H2,1H3
InChIKeyGJNMOAOAYQCHCD-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.92
Rot. Bonds4

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

N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide (PubChem CID 162598419) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
PubChem CID162598419
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC NameN-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C22H21F3N4O4S/c1-15-13-16(19-26-27-20(33-19)22(23,24)25)7-8-17(15)14-29(18-5-3-2-4-6-18)21(30)28-9-11-34(31,32)12-10-28/h2-8,13H,9-12,14H2,1H3
InChIKeyGJNMOAOAYQCHCD-UHFFFAOYSA-N
XLogP3.92
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide with MolForge

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Related Compounds

7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 147456940
1,1-dioxo-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894438
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894051
4-tert-butyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 140894608
N-(3-fluorophenyl)-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894088
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
CID 140894217
4-methyl-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide
CID 162598387
N-[3-(1-methylindazol-6-yl)phenyl]-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894813
4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 159266883
1-oxo-N-(4-phenylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 167496684
1-ethyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylazetidine-3-carboxamide
CID 126544289
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,4-thiazinane-4-carboxamide
CID 140894566

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide (CID 162598419) is N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide is Cc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide?
The InChIKey is GJNMOAOAYQCHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-15-13-16(19-26-27-20(33-19)22(23,24)25)7-8-17(15)14-29(18-5-3-2-4-6-18)21(30)28-9-11-34(31,32)12-10-28/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide?
N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide has a molecular weight of 494.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 162598419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).