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

C24H33N3OS — CID 59337859

IUPAC[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccccc2C(C)C)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H33N3OS/c1-17(2)20-9-5-6-10-21(20)23-25-18(3)22(29-23)24(28)27-15-11-19(12-16-27)26-13-7-4-8-14-26/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3
InChIKeyPHRGZZUNJCQGHB-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.33
Rot. Bonds4

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

[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 59337859) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID59337859
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(-c2ccccc2C(C)C)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H33N3OS/c1-17(2)20-9-5-6-10-21(20)23-25-18(3)22(29-23)24(28)27-15-11-19(12-16-27)26-13-7-4-8-14-26/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3
InChIKeyPHRGZZUNJCQGHB-UHFFFAOYSA-N
XLogP5.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.33
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-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338261
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
(4-butyl-1,4-diazepan-1-yl)-[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338796
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 42534917
(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
CID 97215122
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 59337859) is [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1nc(-c2ccccc2C(C)C)sc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is PHRGZZUNJCQGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-17(2)20-9-5-6-10-21(20)23-25-18(3)22(29-23)24(28)27-15-11-19(12-16-27)26-13-7-4-8-14-26/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3.
What are the key properties of [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 411.62 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59337859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).