5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C17H23N3OS — CID 133426356

IUPAC5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCCOc1ccc(C2CCCN2c2nc(C(C)C)ns2)cc1
InChIInChI=1S/C17H23N3OS/c1-4-21-14-9-7-13(8-10-14)15-6-5-11-20(15)17-18-16(12(2)3)19-22-17/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyYRVKGWMKWNFMIK-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.40
Rot. Bonds5

About 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133426356) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133426356
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCCOc1ccc(C2CCCN2c2nc(C(C)C)ns2)cc1
InChIInChI=1S/C17H23N3OS/c1-4-21-14-9-7-13(8-10-14)15-6-5-11-20(15)17-18-16(12(2)3)19-22-17/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyYRVKGWMKWNFMIK-UHFFFAOYSA-N
XLogP4.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole 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

5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133428857
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
N-cyclopropyl-5-[(2R)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337634
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 124890486
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 133426356) is 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is CCOc1ccc(C2CCCN2c2nc(C(C)C)ns2)cc1.
What is the InChIKey of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is YRVKGWMKWNFMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-21-14-9-7-13(8-10-14)15-6-5-11-20(15)17-18-16(12(2)3)19-22-17/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 317.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133426356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).