[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C24H33N3OS — CID 59338601

IUPAC[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c(C)c1
InChIInChI=1S/C24H33N3OS/c1-16-14-17(2)21(18(3)15-16)23-25-19(4)22(29-23)24(28)27-12-8-20(9-13-27)26-10-6-5-7-11-26/h14-15,20H,5-13H2,1-4H3
InChIKeyCJOZADFRRLALAZ-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.13
Rot. Bonds3

About [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 59338601) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID59338601
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c(C)c1
InChIInChI=1S/C24H33N3OS/c1-16-14-17(2)21(18(3)15-16)23-25-19(4)22(29-23)24(28)27-12-8-20(9-13-27)26-10-6-5-7-11-26/h14-15,20H,5-13H2,1-4H3
InChIKeyCJOZADFRRLALAZ-UHFFFAOYSA-N
XLogP5.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone
CID 143281713
(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338261
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338041
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59337801

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 59338601) is [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1cc(C)c(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c(C)c1.
What is the InChIKey of [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is CJOZADFRRLALAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-16-14-17(2)21(18(3)15-16)23-25-19(4)22(29-23)24(28)27-12-8-20(9-13-27)26-10-6-5-7-11-26/h14-15,20H,5-13H2,1-4H3.
What are the key properties of [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 411.62 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59338601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).