N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H16FN3O3S — CID 26996554

IUPACN-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H16FN3O3S/c17-14-3-1-2-12(10-14)6-7-18-16(21)13-4-5-15-19-24(22,23)9-8-20(15)11-13/h1-5,10-11H,6-9H2,(H,18,21)
InChIKeyWPYIIARTFVQSQL-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26996554) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26996554
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H16FN3O3S/c17-14-3-1-2-12(10-14)6-7-18-16(21)13-4-5-15-19-24(22,23)9-8-20(15)11-13/h1-5,10-11H,6-9H2,(H,18,21)
InChIKeyWPYIIARTFVQSQL-UHFFFAOYSA-N
XLogP0.98
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26996554) is N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCCc1cccc(F)c1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is WPYIIARTFVQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-14-3-1-2-12(10-14)6-7-18-16(21)13-4-5-15-19-24(22,23)9-8-20(15)11-13/h1-5,10-11H,6-9H2,(H,18,21).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26996554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).