N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C17H17FN4O3S — CID 120884212

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H17FN4O3S/c18-16-13-5-6-19-9-11(13)1-3-14(16)20-17(23)12-2-4-15-21-26(24,25)8-7-22(15)10-12/h1-4,10,19H,5-9H2,(H,20,23)
InChIKeyCEJGHNDTSIFWLI-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.91
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 120884212) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID120884212
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H17FN4O3S/c18-16-13-5-6-19-9-11(13)1-3-14(16)20-17(23)12-2-4-15-21-26(24,25)8-7-22(15)10-12/h1-4,10,19H,5-9H2,(H,20,23)
InChIKeyCEJGHNDTSIFWLI-UHFFFAOYSA-N
XLogP0.91
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 120884212) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is CEJGHNDTSIFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-16-13-5-6-19-9-11(13)1-3-14(16)20-17(23)12-2-4-15-21-26(24,25)8-7-22(15)10-12/h1-4,10,19H,5-9H2,(H,20,23).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 120884212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).