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

C24H33N3OS — CID 59338537

IUPAC[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCc1ccccc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1
InChIInChI=1S/C24H33N3OS/c1-3-19-10-6-7-11-21(19)23-25-18(2)22(29-23)24(28)27-16-12-20(13-17-27)26-14-8-4-5-9-15-26/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3
InChIKeyZUMGTSBXVXDREY-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.16
Rot. Bonds4

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

[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 59338537) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID59338537
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCc1ccccc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1
InChIInChI=1S/C24H33N3OS/c1-3-19-10-6-7-11-21(19)23-25-18(2)22(29-23)24(28)27-16-12-20(13-17-27)26-14-8-4-5-9-15-26/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3
InChIKeyZUMGTSBXVXDREY-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
[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
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[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
azepane;1-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-2-piperidin-1-ylethanone
CID 143281321
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 59338537) is [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is CCc1ccccc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1.
What is the InChIKey of [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is ZUMGTSBXVXDREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-3-19-10-6-7-11-21(19)23-25-18(2)22(29-23)24(28)27-16-12-20(13-17-27)26-14-8-4-5-9-15-26/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3.
What are the key properties of [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 411.62 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 59338537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).