6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole

C16H12N4S — CID 169074371

IUPAC6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole
SMILESCc1cccc(-n2nccc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C16H12N4S/c1-11-3-2-4-16(19-11)20-14(7-8-18-20)12-5-6-13-15(9-12)21-10-17-13/h2-10H,1H3
InChIKeyVLLYNPWTZGQZOJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.85
Rot. Bonds2

About 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole

6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole (PubChem CID 169074371) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole
PubChem CID169074371
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole
SMILESCc1cccc(-n2nccc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C16H12N4S/c1-11-3-2-4-16(19-11)20-14(7-8-18-20)12-5-6-13-15(9-12)21-10-17-13/h2-10H,1H3
InChIKeyVLLYNPWTZGQZOJ-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole (CID 169074371) is 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole is Cc1cccc(-n2nccc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole?
The InChIKey is VLLYNPWTZGQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-3-2-4-16(19-11)20-14(7-8-18-20)12-5-6-13-15(9-12)21-10-17-13/h2-10H,1H3.
What are the key properties of 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole?
6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole has a molecular weight of 292.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 169074371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).