2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

C17H17N5S — CID 100687840

IUPAC2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)n1
InChIInChI=1S/C17H17N5S/c1-12-6-4-8-13(19-12)15-9-5-11-22(15)17-21-20-16(23-17)14-7-2-3-10-18-14/h2-4,6-8,10,15H,5,9,11H2,1H3/t15-/m1/s1
InChIKeyALEKRAGQKFSTCE-OAHLLOKOSA-N
MW323.43 g/mol
LogP3.65
Rot. Bonds3

About 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 100687840) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID100687840
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)n1
InChIInChI=1S/C17H17N5S/c1-12-6-4-8-13(19-12)15-9-5-11-22(15)17-21-20-16(23-17)14-7-2-3-10-18-14/h2-4,6-8,10,15H,5,9,11H2,1H3/t15-/m1/s1
InChIKeyALEKRAGQKFSTCE-OAHLLOKOSA-N
XLogP3.65
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole with MolForge

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Related Compounds

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133455049
2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124863673
(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 99836974
6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494765
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 99695577
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 124829122
2-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864243
2-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864244

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (CID 100687840) is 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is Cc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)n1.
What is the InChIKey of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is ALEKRAGQKFSTCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N5S/c1-12-6-4-8-13(19-12)15-9-5-11-22(15)17-21-20-16(23-17)14-7-2-3-10-18-14/h2-4,6-8,10,15H,5,9,11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 323.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 100687840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).