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

C19H20N4S — CID 97159617

IUPAC5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cccc([C@H]2CCCN2Cc2cnc(-c3cccnc3)s2)n1
InChIInChI=1S/C19H20N4S/c1-14-5-2-7-17(22-14)18-8-4-10-23(18)13-16-12-21-19(24-16)15-6-3-9-20-11-15/h2-3,5-7,9,11-12,18H,4,8,10,13H2,1H3/t18-/m1/s1
InChIKeyAAUBYZITFPRXRQ-GOSISDBHSA-N
MW336.46 g/mol
LogP4.25
Rot. Bonds4

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

5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 97159617) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID97159617
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1cccc([C@H]2CCCN2Cc2cnc(-c3cccnc3)s2)n1
InChIInChI=1S/C19H20N4S/c1-14-5-2-7-17(22-14)18-8-4-10-23(18)13-16-12-21-19(24-16)15-6-3-9-20-11-15/h2-3,5-7,9,11-12,18H,4,8,10,13H2,1H3/t18-/m1/s1
InChIKeyAAUBYZITFPRXRQ-GOSISDBHSA-N
XLogP4.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97160215
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 97159631
ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 84593468
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 124874423
2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 75439356
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126468199

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (CID 97159617) is 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is Cc1cccc([C@H]2CCCN2Cc2cnc(-c3cccnc3)s2)n1.
What is the InChIKey of 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is AAUBYZITFPRXRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4S/c1-14-5-2-7-17(22-14)18-8-4-10-23(18)13-16-12-21-19(24-16)15-6-3-9-20-11-15/h2-3,5-7,9,11-12,18H,4,8,10,13H2,1H3/t18-/m1/s1.
What are the key properties of 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 336.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 97159617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).