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

C15H17N5S — CID 97272819

IUPAC1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCC[C@H]3c3ccccn3)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/t12-/m0/s1
InChIKeyQNRLWRSCDYDLOG-LBPRGKRZSA-N
MW299.40 g/mol
LogP3.07
Rot. Bonds2

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

1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 97272819) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID97272819
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCC[C@H]3c3ccccn3)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/t12-/m0/s1
InChIKeyQNRLWRSCDYDLOG-LBPRGKRZSA-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

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

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Related Compounds

5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 72917691
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 100687840
1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
CID 95867116
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 167978249
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 72889738
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
CID 95325819
1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94616521

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 97272819) is 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCC[C@H]3c3ccccn3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is QNRLWRSCDYDLOG-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[(2S)-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-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 97272819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).