2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole

C15H17N7S — CID 167837919

IUPAC2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole
SMILESCc1nnc(C2CCN(c3nccc(-n4cccn4)n3)CC2)s1
InChIInChI=1S/C15H17N7S/c1-11-19-20-14(23-11)12-4-9-21(10-5-12)15-16-7-3-13(18-15)22-8-2-6-17-22/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyCFOSJMNOTQFKCL-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole

2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole (PubChem CID 167837919) has the molecular formula C15H17N7S and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole
PubChem CID167837919
Molecular FormulaC15H17N7S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole
SMILESCc1nnc(C2CCN(c3nccc(-n4cccn4)n3)CC2)s1
InChIInChI=1S/C15H17N7S/c1-11-19-20-14(23-11)12-4-9-21(10-5-12)15-16-7-3-13(18-15)22-8-2-6-17-22/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyCFOSJMNOTQFKCL-UHFFFAOYSA-N
XLogP2.21
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole (CID 167837919) is 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole is Cc1nnc(C2CCN(c3nccc(-n4cccn4)n3)CC2)s1.
What is the InChIKey of 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole?
The InChIKey is CFOSJMNOTQFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7S/c1-11-19-20-14(23-11)12-4-9-21(10-5-12)15-16-7-3-13(18-15)22-8-2-6-17-22/h2-3,6-8,12H,4-5,9-10H2,1H3.
What are the key properties of 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole?
2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole has a molecular weight of 327.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(4-pyrazol-1-ylpyrimidin-2-yl)piperidin-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 167837919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).