N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide

C20H18ClF2N5O3S — CID 170591353

IUPACN-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESO=C(N1CCS(=O)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF2N5O3S/c21-14-2-5-16(6-3-14)28(20(29)27-7-9-32(30)10-8-27)12-15-4-1-13(11-24-15)18-25-26-19(31-18)17(22)23/h1-6,11,17H,7-10,12H2
InChIKeyKMQOSSSTUXHLBR-UHFFFAOYSA-N
MW481.91 g/mol
LogP3.91
Rot. Bonds5

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

N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 170591353) has the molecular formula C20H18ClF2N5O3S and a molecular weight of 481.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID170591353
Molecular FormulaC20H18ClF2N5O3S
Molecular Weight481.91 g/mol
Exact Mass481.08
IUPAC NameN-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESO=C(N1CCS(=O)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF2N5O3S/c21-14-2-5-16(6-3-14)28(20(29)27-7-9-32(30)10-8-27)12-15-4-1-13(11-24-15)18-25-26-19(31-18)17(22)23/h1-6,11,17H,7-10,12H2
InChIKeyKMQOSSSTUXHLBR-UHFFFAOYSA-N
XLogP3.91
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894719
N-(4-tert-butylphenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 167496790
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 140894985
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 170591405
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-[4-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 170591336
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894577
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-ethylphenyl)morpholine-4-carboxamide
CID 160590742
(1S,4S)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 171513979
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,4-thiazinane-4-carboxamide
CID 167496997
tert-butyl 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl-phenylcarbamoyl]-4-fluoropiperidine-1-carboxylate
CID 156891686
(1S,4S)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-5-(thietan-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 171514052
N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
CID 161074600

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide (CID 170591353) is N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide is O=C(N1CCS(=O)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is KMQOSSSTUXHLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N5O3S/c21-14-2-5-16(6-3-14)28(20(29)27-7-9-32(30)10-8-27)12-15-4-1-13(11-24-15)18-25-26-19(31-18)17(22)23/h1-6,11,17H,7-10,12H2.
What are the key properties of N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide?
N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 481.91 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 170591353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).