1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole

C15H17N5S — CID 72863682

IUPAC1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC3c3ccccn3)sc12
InChIInChI=1S/C15H17N5S/c1-10-13-14(19(2)18-10)17-15(21-13)20-9-5-7-12(20)11-6-3-4-8-16-11/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyQNRLWRSCDYDLOG-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.07
Rot. Bonds2

About 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72863682) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
PubChem CID72863682
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC3c3ccccn3)sc12
InChIInChI=1S/C15H17N5S/c1-10-13-14(19(2)18-10)17-15(21-13)20-9-5-7-12(20)11-6-3-4-8-16-11/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyQNRLWRSCDYDLOG-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
6-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 3000037
1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72848898
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252248
5-[2-(1-Ethyl-1H-pyrazol-4-yl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-trifluoromethyl-pyridin-2-ylamine
CID 66716893
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257255
US11685744, Example 107
CID 164709961
3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666152

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole (CID 72863682) is 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCC3c3ccccn3)sc12.
What is the InChIKey of 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is QNRLWRSCDYDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-13-14(19(2)18-10)17-15(21-13)20-9-5-7-12(20)11-6-3-4-8-16-11/h3-4,6,8,12H,5,7,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 299.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72863682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).