1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

C17H22N6S — CID 72889738

IUPAC1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1cccnc1CN1CCN(c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C17H22N6S/c1-12-5-4-6-18-14(12)11-22-7-9-23(10-8-22)17-19-16-15(24-17)13(2)20-21(16)3/h4-6H,7-11H2,1-3H3
InChIKeyFCJCLOCEZFTQPI-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.36
Rot. Bonds3

About 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72889738) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72889738
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1cccnc1CN1CCN(c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C17H22N6S/c1-12-5-4-6-18-14(12)11-22-7-9-23(10-8-22)17-19-16-15(24-17)13(2)20-21(16)3/h4-6H,7-11H2,1-3H3
InChIKeyFCJCLOCEZFTQPI-UHFFFAOYSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.36
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-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72889738) is 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1cccnc1CN1CCN(c2nc3c(s2)c(C)nn3C)CC1.
What is the InChIKey of 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is FCJCLOCEZFTQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-5-4-6-18-14(12)11-22-7-9-23(10-8-22)17-19-16-15(24-17)13(2)20-21(16)3/h4-6H,7-11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 342.47 g/mol, XLogP of 2.36, 3 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-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72889738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).