(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C18H14ClFN4S — CID 8833974

IUPAC(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESC[C@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4S/c1-11-17(12-6-8-14(19)9-7-12)23-24-16(21-22-18(24)25-11)10-13-4-2-3-5-15(13)20/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyJQBYHQRVJUULTA-LLVKDONJSA-N
MW372.86 g/mol
LogP4.41
Rot. Bonds3

About (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 8833974) has the molecular formula C18H14ClFN4S and a molecular weight of 372.86 g/mol. Its IUPAC name is (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID8833974
Molecular FormulaC18H14ClFN4S
Molecular Weight372.86 g/mol
Exact Mass372.06
IUPAC Name(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESC[C@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4S/c1-11-17(12-6-8-14(19)9-7-12)23-24-16(21-22-18(24)25-11)10-13-4-2-3-5-15(13)20/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyJQBYHQRVJUULTA-LLVKDONJSA-N
XLogP4.41
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4964026
(7R)-7-methyl-3-(4-methylphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669710
(7S)-7-(4-chlorophenyl)-3-(phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 126212776
(7R)-6-(4-methoxyphenyl)-7-methyl-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669860
3-[(2-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152945
2-[6-(4-chlorophenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate
CID 85027558
3-[(4-chlorophenyl)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 7295460
3-[(2-fluorophenyl)methyl]-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841773
(7R)-6-(4-ethoxyphenyl)-7-methyl-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669808
7-(4-chlorophenyl)sulfanyl-3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 10455613
6-(4-chlorophenyl)-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850292
(7S)-6-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669851

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 8833974) is (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C[C@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(Cl)cc1.
What is the InChIKey of (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is JQBYHQRVJUULTA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14ClFN4S/c1-11-17(12-6-8-14(19)9-7-12)23-24-16(21-22-18(24)25-11)10-13-4-2-3-5-15(13)20/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
(7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 372.86 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 8833974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).