2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

C16H22N4OS — CID 46265276

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C)n(-c2nc(CC(=O)N3CCC(C)CC3)cs2)n1
InChIInChI=1S/C16H22N4OS/c1-11-4-6-19(7-5-11)15(21)9-14-10-22-16(17-14)20-13(3)8-12(2)18-20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyKIKWVORDZRFDNK-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 46265276) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID46265276
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C)n(-c2nc(CC(=O)N3CCC(C)CC3)cs2)n1
InChIInChI=1S/C16H22N4OS/c1-11-4-6-19(7-5-11)15(21)9-14-10-22-16(17-14)20-13(3)8-12(2)18-20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyKIKWVORDZRFDNK-UHFFFAOYSA-N
XLogP2.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 46265276) is 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(C)n(-c2nc(CC(=O)N3CCC(C)CC3)cs2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KIKWVORDZRFDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-4-6-19(7-5-11)15(21)9-14-10-22-16(17-14)20-13(3)8-12(2)18-20/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 318.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46265276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).