6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole

C21H23N5S — CID 11516392

IUPAC6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12
InChIInChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyBCSPALWWQLYRIR-CQSZACIVSA-N
MW377.52 g/mol
LogP4.34
Rot. Bonds4

About 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole

6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 11516392) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID11516392
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12
InChIInChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyBCSPALWWQLYRIR-CQSZACIVSA-N
XLogP4.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-3-methyl-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazolo[3,2-a]imidazole
CID 11546387
6-[6-(1-Methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-ylmethyl]-quinoline
CID 25144777
6-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46196592
6-(1-methylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 49787164
6-(1,3-dimethylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 49821917
6-(1,3-dimethylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 49821995
6-(1-Methylpyrazol-4-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 75170428
1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72848898
6-[4-Amino-1-[[2-(2-methylpyrrolidin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515022
US10071079, Example 369
CID 132272247
2-(1-Methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 155550224
N,N-dimethyl-4-[3-(quinolin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 17595108

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 11516392) is 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12.
What is the InChIKey of 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is BCSPALWWQLYRIR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 377.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 11516392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).