N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

C19H25ClN4O3S — CID 119527156

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13(2)14-3-5-15(6-4-14)17(20)11-21-19(24)16-7-8-18-22-27(25,26)10-9-23(18)12-16;/h3-8,12-13,17H,9-11,20H2,1-2H3,(H,21,24);1H
InChIKeyBEIHMUOHBNINAE-UHFFFAOYSA-N
MW424.95 g/mol
LogP1.85
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (PubChem CID 119527156) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
PubChem CID119527156
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13(2)14-3-5-15(6-4-14)17(20)11-21-19(24)16-7-8-18-22-27(25,26)10-9-23(18)12-16;/h3-8,12-13,17H,9-11,20H2,1-2H3,(H,21,24);1H
InChIKeyBEIHMUOHBNINAE-UHFFFAOYSA-N
XLogP1.85
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (CID 119527156) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The InChIKey is BEIHMUOHBNINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-13(2)14-3-5-15(6-4-14)17(20)11-21-19(24)16-7-8-18-22-27(25,26)10-9-23(18)12-16;/h3-8,12-13,17H,9-11,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119527156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).