1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone

C22H27N3O2S — CID 59338641

IUPAC1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1
InChIInChI=1S/C22H27N3O2S/c1-15-20(28-21(23-15)18-7-5-6-17(14-18)16(2)26)22(27)25-12-10-24(11-13-25)19-8-3-4-9-19/h5-7,14,19H,3-4,8-13H2,1-2H3
InChIKeyHGSKTIHNXLQAPP-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.02
Rot. Bonds4

About 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone

1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone (PubChem CID 59338641) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
PubChem CID59338641
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1
InChIInChI=1S/C22H27N3O2S/c1-15-20(28-21(23-15)18-7-5-6-17(14-18)16(2)26)22(27)25-12-10-24(11-13-25)19-8-3-4-9-19/h5-7,14,19H,3-4,8-13H2,1-2H3
InChIKeyHGSKTIHNXLQAPP-UHFFFAOYSA-N
XLogP4.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
CID 59337865
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
[2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 59338478
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 32889545
(3-methoxyphenyl)-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55574894
2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 59338603
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338041

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone (CID 59338641) is 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1.
What is the InChIKey of 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone?
The InChIKey is HGSKTIHNXLQAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-15-20(28-21(23-15)18-7-5-6-17(14-18)16(2)26)22(27)25-12-10-24(11-13-25)19-8-3-4-9-19/h5-7,14,19H,3-4,8-13H2,1-2H3.
What are the key properties of 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone?
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone has a molecular weight of 397.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 59338641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).