[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C22H26N4OS — CID 46263544

IUPAC[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N4OS/c1-15-19(14-18-10-6-4-7-11-18)17(3)26(24-15)22-23-16(2)20(28-22)21(27)25-12-8-5-9-13-25/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyYTABMIMQJLHORZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.47
Rot. Bonds4

About [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 46263544) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID46263544
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N4OS/c1-15-19(14-18-10-6-4-7-11-18)17(3)26(24-15)22-23-16(2)20(28-22)21(27)25-12-8-5-9-13-25/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyYTABMIMQJLHORZ-UHFFFAOYSA-N
XLogP4.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 46263544) is [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is YTABMIMQJLHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-19(14-18-10-6-4-7-11-18)17(3)26(24-15)22-23-16(2)20(28-22)21(27)25-12-8-5-9-13-25/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3.
What are the key properties of [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 394.54 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46263544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).