N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

C19H19ClN4O2S — CID 135704446

IUPACN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCCOc1ccc(-c2cc3n(n2)SC(Nc2ccc(OC)c(Cl)c2)N3)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-3-26-14-7-4-12(5-8-14)16-11-18-22-19(27-24(18)23-16)21-13-6-9-17(25-2)15(20)10-13/h4-11,19,21-22H,3H2,1-2H3
InChIKeyWYAPZXGUHDRYIY-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.93
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (PubChem CID 135704446) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
PubChem CID135704446
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCCOc1ccc(-c2cc3n(n2)SC(Nc2ccc(OC)c(Cl)c2)N3)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-3-26-14-7-4-12(5-8-14)16-11-18-22-19(27-24(18)23-16)21-13-6-9-17(25-2)15(20)10-13/h4-11,19,21-22H,3H2,1-2H3
InChIKeyWYAPZXGUHDRYIY-UHFFFAOYSA-N
XLogP4.93
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
CID 136913750
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 58626180
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
N-(3-chloro-4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112208
N-[1-(3-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 78630333
(6R,7S)-6-(3-chloro-4-methoxyphenyl)-N-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980792
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53118035

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (CID 135704446) is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is CCOc1ccc(-c2cc3n(n2)SC(Nc2ccc(OC)c(Cl)c2)N3)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The InChIKey is WYAPZXGUHDRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-3-26-14-7-4-12(5-8-14)16-11-18-22-19(27-24(18)23-16)21-13-6-9-17(25-2)15(20)10-13/h4-11,19,21-22H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine has a molecular weight of 402.91 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is sourced from PubChem (CID 135704446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).