2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole

C15H16N4S — CID 133275836

IUPAC2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(N3CCCC(n4cccn4)C3)nc2c1
InChIInChI=1S/C15H16N4S/c1-2-7-14-13(6-1)17-15(20-14)18-9-3-5-12(11-18)19-10-4-8-16-19/h1-2,4,6-8,10,12H,3,5,9,11H2
InChIKeyMHZSIPKGGJUPSU-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.33
Rot. Bonds2

About 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole

2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole (PubChem CID 133275836) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
PubChem CID133275836
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(N3CCCC(n4cccn4)C3)nc2c1
InChIInChI=1S/C15H16N4S/c1-2-7-14-13(6-1)17-15(20-14)18-9-3-5-12(11-18)19-10-4-8-16-19/h1-2,4,6-8,10,12H,3,5,9,11H2
InChIKeyMHZSIPKGGJUPSU-UHFFFAOYSA-N
XLogP3.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128977516
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275818
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133275758

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole (CID 133275836) is 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole is c1ccc2sc(N3CCCC(n4cccn4)C3)nc2c1.
What is the InChIKey of 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole?
The InChIKey is MHZSIPKGGJUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-7-14-13(6-1)17-15(20-14)18-9-3-5-12(11-18)19-10-4-8-16-19/h1-2,4,6-8,10,12H,3,5,9,11H2.
What are the key properties of 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole?
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole has a molecular weight of 284.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 133275836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).