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

C15H20N4OS — CID 110271048

IUPAC1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCCC2c2[nH]ncc2C)cs1
InChIInChI=1S/C15H20N4OS/c1-10-8-16-18-15(10)13-5-3-4-6-19(13)14(20)7-12-9-21-11(2)17-12/h8-9,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyLVCKQKBIUOYUEO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.78
Rot. Bonds3

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

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 110271048) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID110271048
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCCCC2c2[nH]ncc2C)cs1
InChIInChI=1S/C15H20N4OS/c1-10-8-16-18-15(10)13-5-3-4-6-19(13)14(20)7-12-9-21-11(2)17-12/h8-9,13H,3-7H2,1-2H3,(H,16,18)
InChIKeyLVCKQKBIUOYUEO-UHFFFAOYSA-N
XLogP2.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 110271048) is 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCCCC2c2[nH]ncc2C)cs1.
What is the InChIKey of 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is LVCKQKBIUOYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-8-16-18-15(10)13-5-3-4-6-19(13)14(20)7-12-9-21-11(2)17-12/h8-9,13H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 110271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).