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

C18H23N5S — CID 97276982

IUPAC1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC[C@H]3CCc3ccccn3)sc12
InChIInChI=1S/C18H23N5S/c1-13-16-17(22(2)21-13)20-18(24-16)23-12-6-4-8-15(23)10-9-14-7-3-5-11-19-14/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3/t15-/m0/s1
InChIKeyGQYBREUNKOMHFK-HNNXBMFYSA-N
MW341.48 g/mol
LogP3.72
Rot. Bonds4

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

1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 97276982) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID97276982
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC[C@H]3CCc3ccccn3)sc12
InChIInChI=1S/C18H23N5S/c1-13-16-17(22(2)21-13)20-18(24-16)23-12-6-4-8-15(23)10-9-14-7-3-5-11-19-14/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3/t15-/m0/s1
InChIKeyGQYBREUNKOMHFK-HNNXBMFYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-(4-{5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-1,3-benzothiazole
CID 655948
3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682754
N-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682763
N-[(3-methylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70684836
N-[(4-methylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70691169
N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70691184
N-benzyl-5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70697401
1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72848898
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155533686

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 97276982) is 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCC[C@H]3CCc3ccccn3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is GQYBREUNKOMHFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-13-16-17(22(2)21-13)20-18(24-16)23-12-6-4-8-15(23)10-9-14-7-3-5-11-19-14/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 341.48 g/mol, XLogP of 3.72, 4 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-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 97276982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).