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

C17H21N5OS — CID 72849122

IUPAC1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCC(OCc4cccnc4)CC3)sc12
InChIInChI=1S/C17H21N5OS/c1-12-15-16(21(2)20-12)19-17(24-15)22-8-5-14(6-9-22)23-11-13-4-3-7-18-10-13/h3-4,7,10,14H,5-6,8-9,11H2,1-2H3
InChIKeyXIRBKVCUBNSPIR-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.92
Rot. Bonds4

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

1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72849122) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72849122
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCC(OCc4cccnc4)CC3)sc12
InChIInChI=1S/C17H21N5OS/c1-12-15-16(21(2)20-12)19-17(24-15)22-8-5-14(6-9-22)23-11-13-4-3-7-18-10-13/h3-4,7,10,14H,5-6,8-9,11H2,1-2H3
InChIKeyXIRBKVCUBNSPIR-UHFFFAOYSA-N
XLogP2.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72849122) is 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCC(OCc4cccnc4)CC3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is XIRBKVCUBNSPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-15-16(21(2)20-12)19-17(24-15)22-8-5-14(6-9-22)23-11-13-4-3-7-18-10-13/h3-4,7,10,14H,5-6,8-9,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 343.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72849122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).