(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

C19H18ClN5OS — CID 40979834

IUPAC(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClN5OS/c1-11-4-3-5-15(10-11)21-18(26)17-16(13-6-8-14(20)9-7-13)24-25-12(2)22-23-19(25)27-17/h3-10,16-17,24H,1-2H3,(H,21,26)/t16-,17-/m1/s1
InChIKeyNKZDJPLQNPUNCC-IAGOWNOFSA-N
MW399.91 g/mol
LogP3.95
Rot. Bonds3

About (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (PubChem CID 40979834) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
PubChem CID40979834
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClN5OS/c1-11-4-3-5-15(10-11)21-18(26)17-16(13-6-8-14(20)9-7-13)24-25-12(2)22-23-19(25)27-17/h3-10,16-17,24H,1-2H3,(H,21,26)/t16-,17-/m1/s1
InChIKeyNKZDJPLQNPUNCC-IAGOWNOFSA-N
XLogP3.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide 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 (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The IUPAC name of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (CID 40979834) is (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.
What is the SMILES notation for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The canonical SMILES for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is Cc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The InChIKey is NKZDJPLQNPUNCC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c1-11-4-3-5-15(10-11)21-18(26)17-16(13-6-8-14(20)9-7-13)24-25-12(2)22-23-19(25)27-17/h3-10,16-17,24H,1-2H3,(H,21,26)/t16-,17-/m1/s1.
What are the key properties of (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
(6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide has a molecular weight of 399.91 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-(4-chlorophenyl)-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 40979834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).