2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C19H20N4OS — CID 70779777

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C19H20N4OS/c24-18(23-10-4-7-15(12-23)17-8-9-20-22-17)11-16-13-25-19(21-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H,20,22)
InChIKeyBKFPYEXSISRYEQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 70779777) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID70779777
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C19H20N4OS/c24-18(23-10-4-7-15(12-23)17-8-9-20-22-17)11-16-13-25-19(21-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H,20,22)
InChIKeyBKFPYEXSISRYEQ-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 70779777) is 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1csc(-c2ccccc2)n1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is BKFPYEXSISRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(23-10-4-7-15(12-23)17-8-9-20-22-17)11-16-13-25-19(21-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H,20,22).
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70779777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).