6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

C22H24ClN5O2S — CID 17088292

IUPAC6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(C2Nn3c(nnc3-c3ccccc3)SC2C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C22H24ClN5O2S/c1-13(2)12-24-21(29)19-18(15-9-10-17(30-3)16(23)11-15)27-28-20(25-26-22(28)31-19)14-7-5-4-6-8-14/h4-11,13,18-19,27H,12H2,1-3H3,(H,24,29)
InChIKeyZXIBYSAJXPJXOC-UHFFFAOYSA-N
MW457.99 g/mol
LogP4.14
Rot. Bonds6

About 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (PubChem CID 17088292) has the molecular formula C22H24ClN5O2S and a molecular weight of 457.99 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
PubChem CID17088292
Molecular FormulaC22H24ClN5O2S
Molecular Weight457.99 g/mol
Exact Mass457.13
IUPAC Name6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(C2Nn3c(nnc3-c3ccccc3)SC2C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C22H24ClN5O2S/c1-13(2)12-24-21(29)19-18(15-9-10-17(30-3)16(23)11-15)27-28-20(25-26-22(28)31-19)14-7-5-4-6-8-14/h4-11,13,18-19,27H,12H2,1-3H3,(H,24,29)
InChIKeyZXIBYSAJXPJXOC-UHFFFAOYSA-N
XLogP4.14
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-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

Related Compounds

6-(3-chloro-4-methoxyphenyl)-N-(3-methoxypropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 22332488
(6S,7S)-6-(3-chloro-4-methoxyphenyl)-N-(furan-2-ylmethyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980919
(6S,7S)-N-(2-methylpropyl)-3,6-diphenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40981187
(6R,7S)-6-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979602
(6S,7S)-6-(3-chloro-4-methoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979595
[(6S,7R)-6-(3-chloro-4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone
CID 40980921
(6R,7S)-6-(3-chloro-4-methoxyphenyl)-3-methyl-N-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980755
[6-(3-chloro-4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-(2-methylpiperidin-1-yl)methanone
CID 17088288
[(6S,7S)-6-(3-chloro-4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40980873
(6R,7S)-6-(3-chloro-4-methoxyphenyl)-3-methyl-N-(2-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980767
(6R,7S)-6-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40981029
methyl 4-[7-(benzylcarbamoyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzoate
CID 22332469

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide (CID 17088292) is 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is COc1ccc(C2Nn3c(nnc3-c3ccccc3)SC2C(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
The InChIKey is ZXIBYSAJXPJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2S/c1-13(2)12-24-21(29)19-18(15-9-10-17(30-3)16(23)11-15)27-28-20(25-26-22(28)31-19)14-7-5-4-6-8-14/h4-11,13,18-19,27H,12H2,1-3H3,(H,24,29).
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide?
6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide has a molecular weight of 457.99 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17088292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).