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

C23H31N3OS — CID 59338445

IUPAC[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C23H31N3OS/c1-3-18-7-9-19(10-8-18)22-24-17(2)21(28-22)23(27)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h7-10,20H,3-6,11-16H2,1-2H3
InChIKeyOQFHUXVZRZCPBR-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.77
Rot. Bonds4

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

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 59338445) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID59338445
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC Name[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C23H31N3OS/c1-3-18-7-9-19(10-8-18)22-24-17(2)21(28-22)23(27)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h7-10,20H,3-6,11-16H2,1-2H3
InChIKeyOQFHUXVZRZCPBR-UHFFFAOYSA-N
XLogP4.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615487
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061147
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 59338445) is [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is CCc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is OQFHUXVZRZCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-3-18-7-9-19(10-8-18)22-24-17(2)21(28-22)23(27)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h7-10,20H,3-6,11-16H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 397.59 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59338445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).