2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

C19H20N4OS — CID 124863673

IUPAC2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H](C)CN2c2nnc(-c3ccccn3)s2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-11-17(14-6-8-15(24-2)9-7-14)23(12-13)19-22-21-18(25-19)16-5-3-4-10-20-16/h3-10,13,17H,11-12H2,1-2H3/t13-,17-/m1/s1
InChIKeyUAKSISFVLNICDT-CXAGYDPISA-N
MW352.46 g/mol
LogP4.20
Rot. Bonds4

About 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 124863673) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID124863673
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H](C)CN2c2nnc(-c3ccccn3)s2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-11-17(14-6-8-15(24-2)9-7-14)23(12-13)19-22-21-18(25-19)16-5-3-4-10-20-16/h3-10,13,17H,11-12H2,1-2H3/t13-,17-/m1/s1
InChIKeyUAKSISFVLNICDT-CXAGYDPISA-N
XLogP4.20
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124735168
2-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864244
2-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864243
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 99836974
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 100687840
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 124829122
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
(5R,6R)-5-(4-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 54776415
3-(4-methoxyphenyl)-5-pyridin-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 52952885

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (CID 124863673) is 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is COc1ccc([C@H]2C[C@@H](C)CN2c2nnc(-c3ccccn3)s2)cc1.
What is the InChIKey of 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is UAKSISFVLNICDT-CXAGYDPISA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-11-17(14-6-8-15(24-2)9-7-14)23(12-13)19-22-21-18(25-19)16-5-3-4-10-20-16/h3-10,13,17H,11-12H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 352.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 124863673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).