3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole

C17H13N5S — CID 69351411

IUPAC3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
SMILESCc1cccc(-c2[nH]ncc2-c2cccc(-c3cnsn3)c2)n1
InChIInChI=1S/C17H13N5S/c1-11-4-2-7-15(20-11)17-14(9-18-21-17)12-5-3-6-13(8-12)16-10-19-23-22-16/h2-10H,1H3,(H,18,21)
InChIKeyYITHGDCGPTYFNT-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.97
Rot. Bonds3

About 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole

3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole (PubChem CID 69351411) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
PubChem CID69351411
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
SMILESCc1cccc(-c2[nH]ncc2-c2cccc(-c3cnsn3)c2)n1
InChIInChI=1S/C17H13N5S/c1-11-4-2-7-15(20-11)17-14(9-18-21-17)12-5-3-6-13(8-12)16-10-19-23-22-16/h2-10H,1H3,(H,18,21)
InChIKeyYITHGDCGPTYFNT-UHFFFAOYSA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole (CID 69351411) is 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole is Cc1cccc(-c2[nH]ncc2-c2cccc(-c3cnsn3)c2)n1.
What is the InChIKey of 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole?
The InChIKey is YITHGDCGPTYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-11-4-2-7-15(20-11)17-14(9-18-21-17)12-5-3-6-13(8-12)16-10-19-23-22-16/h2-10H,1H3,(H,18,21).
What are the key properties of 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole?
3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole has a molecular weight of 319.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole is sourced from PubChem (CID 69351411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).