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

C16H19N5S — CID 72848898

IUPAC1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3cccnc3)sc12
InChIInChI=1S/C16H19N5S/c1-11-14-15(20(2)19-11)18-16(22-14)21-9-4-3-7-13(21)12-6-5-8-17-10-12/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyGOYCFYUPCXLPMK-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.46
Rot. Bonds2

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

1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72848898) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
PubChem CID72848898
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3cccnc3)sc12
InChIInChI=1S/C16H19N5S/c1-11-14-15(20(2)19-11)18-16(22-14)21-9-4-3-7-13(21)12-6-5-8-17-10-12/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyGOYCFYUPCXLPMK-UHFFFAOYSA-N
XLogP3.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole (CID 72848898) is 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCCC3c3cccnc3)sc12.
What is the InChIKey of 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is GOYCFYUPCXLPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-11-14-15(20(2)19-11)18-16(22-14)21-9-4-3-7-13(21)12-6-5-8-17-10-12/h5-6,8,10,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-(2-pyridin-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 313.43 g/mol, XLogP of 3.46, 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-3-ylpiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).