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

C15H14FN3O3S — CID 8777640

IUPACN-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H14FN3O3S/c16-12-5-3-11(4-6-12)10-17-15(20)13-2-1-7-19-8-9-23(21,22)18-14(13)19/h1-7H,8-10H2,(H,17,20)
InChIKeyIAPUCGCNVFJVCC-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.94
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777640) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777640
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C15H14FN3O3S/c16-12-5-3-11(4-6-12)10-17-15(20)13-2-1-7-19-8-9-23(21,22)18-14(13)19/h1-7H,8-10H2,(H,17,20)
InChIKeyIAPUCGCNVFJVCC-UHFFFAOYSA-N
XLogP0.94
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777640) is N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is IAPUCGCNVFJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-12-5-3-11(4-6-12)10-17-15(20)13-2-1-7-19-8-9-23(21,22)18-14(13)19/h1-7H,8-10H2,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).