(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

C20H22N4O3S — CID 136913750

IUPAC(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCCOc1ccc(N[C@@H]2Nc3cc(-c4ccc(OC)cc4OC)nn3S2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-27-14-7-5-13(6-8-14)21-20-22-19-12-17(23-24(19)28-20)16-10-9-15(25-2)11-18(16)26-3/h5-12,20-22H,4H2,1-3H3/t20-/m1/s1
InChIKeyXSPVELIAYHCWTB-HXUWFJFHSA-N
MW398.49 g/mol
LogP4.28
Rot. Bonds7

About (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (PubChem CID 136913750) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.

Molecular Properties

Compound Name(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
PubChem CID136913750
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCCOc1ccc(N[C@@H]2Nc3cc(-c4ccc(OC)cc4OC)nn3S2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-27-14-7-5-13(6-8-14)21-20-22-19-12-17(23-24(19)28-20)16-10-9-15(25-2)11-18(16)26-3/h5-12,20-22H,4H2,1-3H3/t20-/m1/s1
InChIKeyXSPVELIAYHCWTB-HXUWFJFHSA-N
XLogP4.28
TPSA69.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine 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

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
CID 135704446
4-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 54469913
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
4-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 115390407
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
CID 42879228
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
(4S)-4-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 1489850
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The IUPAC name of (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (CID 136913750) is (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.
What is the SMILES notation for (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The canonical SMILES for (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is CCOc1ccc(N[C@@H]2Nc3cc(-c4ccc(OC)cc4OC)nn3S2)cc1.
What is the InChIKey of (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The InChIKey is XSPVELIAYHCWTB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-27-14-7-5-13(6-8-14)21-20-22-19-12-17(23-24(19)28-20)16-10-9-15(25-2)11-18(16)26-3/h5-12,20-22H,4H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine has a molecular weight of 398.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is sourced from PubChem (CID 136913750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).