5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole

C20H21N3O2S — CID 133345318

IUPAC5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccc(C2CCCN2c2nc(-c3ccccc3)ns2)c(OC)c1
InChIInChI=1S/C20H21N3O2S/c1-24-15-10-11-16(18(13-15)25-2)17-9-6-12-23(17)20-21-19(22-26-20)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3
InChIKeyKFJTUJYWDYJEKO-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.56
Rot. Bonds5

About 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole

5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole (PubChem CID 133345318) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
PubChem CID133345318
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
SMILESCOc1ccc(C2CCCN2c2nc(-c3ccccc3)ns2)c(OC)c1
InChIInChI=1S/C20H21N3O2S/c1-24-15-10-11-16(18(13-15)25-2)17-9-6-12-23(17)20-21-19(22-26-20)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3
InChIKeyKFJTUJYWDYJEKO-UHFFFAOYSA-N
XLogP4.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 124890486
5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8856027
4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 51131874
N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 154753041
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 125140665
4-chloro-2-cyclopropyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyrimidine
CID 133432242
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
3-tert-butyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488719
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
4-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 18087139

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole (CID 133345318) is 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole is COc1ccc(C2CCCN2c2nc(-c3ccccc3)ns2)c(OC)c1.
What is the InChIKey of 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
The InChIKey is KFJTUJYWDYJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-24-15-10-11-16(18(13-15)25-2)17-9-6-12-23(17)20-21-19(22-26-20)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3.
What are the key properties of 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole?
5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole has a molecular weight of 367.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 133345318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).