N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C15H13F2N3O4S — CID 8777925

IUPACN-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H13F2N3O4S/c16-15(17)24-12-6-2-1-5-11(12)18-14(21)10-4-3-7-20-8-9-25(22,23)19-13(10)20/h1-7,15H,8-9H2,(H,18,21)
InChIKeySJIVNFXZGCIKOH-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777925) has the molecular formula C15H13F2N3O4S and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777925
Molecular FormulaC15H13F2N3O4S
Molecular Weight369.35 g/mol
Exact Mass369.06
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H13F2N3O4S/c16-15(17)24-12-6-2-1-5-11(12)18-14(21)10-4-3-7-20-8-9-25(22,23)19-13(10)20/h1-7,15H,8-9H2,(H,18,21)
InChIKeySJIVNFXZGCIKOH-UHFFFAOYSA-N
XLogP1.72
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246339
2,2-dioxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 25465860
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
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CID 103732374
3-[3-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506596
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777925) is N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(Nc1ccccc1OC(F)F)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is SJIVNFXZGCIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O4S/c16-15(17)24-12-6-2-1-5-11(12)18-14(21)10-4-3-7-20-8-9-25(22,23)19-13(10)20/h1-7,15H,8-9H2,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).