N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

C17H18ClFN4O3S — CID 120884001

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H17FN4O3S.ClH/c18-15-12-5-6-19-10-11(12)3-4-14(15)20-17(23)13-2-1-7-22-8-9-26(24,25)21-16(13)22;/h1-4,7,19H,5-6,8-10H2,(H,20,23);1H
InChIKeyLHRNJRKDMDHBNI-UHFFFAOYSA-N
MW412.87 g/mol
LogP1.33
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-9-carboxamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (PubChem CID 120884001) has the molecular formula C17H18ClFN4O3S and a molecular weight of 412.87 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-9-carboxamide;hydrochloride.

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-9-carboxamide;hydrochloride
PubChem CID120884001
Molecular FormulaC17H18ClFN4O3S
Molecular Weight412.87 g/mol
Exact Mass412.08
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H17FN4O3S.ClH/c18-15-12-5-6-19-10-11(12)3-4-14(15)20-17(23)13-2-1-7-22-8-9-26(24,25)21-16(13)22;/h1-4,7,19H,5-6,8-10H2,(H,20,23);1H
InChIKeyLHRNJRKDMDHBNI-UHFFFAOYSA-N
XLogP1.33
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 51.33
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-9-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-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
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-9-carboxamide;hydrochloride (CID 120884001) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.
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-9-carboxamide;hydrochloride?
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-9-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1F)CCNC2)C1=CC=CN2CCS(=O)(=O)N=C12.
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-9-carboxamide;hydrochloride?
The InChIKey is LHRNJRKDMDHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S.ClH/c18-15-12-5-6-19-10-11(12)3-4-14(15)20-17(23)13-2-1-7-22-8-9-26(24,25)21-16(13)22;/h1-4,7,19H,5-6,8-10H2,(H,20,23);1H.
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-9-carboxamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride has a molecular weight of 412.87 g/mol, XLogP of 1.33, 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-9-carboxamide;hydrochloride is sourced from PubChem (CID 120884001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).