(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone

C21H27N3OS2 — CID 59337865

IUPAC(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
SMILESCSc1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1
InChIInChI=1S/C21H27N3OS2/c1-15-19(27-20(22-15)16-6-5-9-18(14-16)26-2)21(25)24-12-10-23(11-13-24)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3
InChIKeyWBUNHIIMSGUBGS-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.54
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 59337865) has the molecular formula C21H27N3OS2 and a molecular weight of 401.60 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
PubChem CID59337865
Molecular FormulaC21H27N3OS2
Molecular Weight401.60 g/mol
Exact Mass401.16
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
SMILESCSc1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1
InChIInChI=1S/C21H27N3OS2/c1-15-19(27-20(22-15)16-6-5-9-18(14-16)26-2)21(25)24-12-10-23(11-13-24)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3
InChIKeyWBUNHIIMSGUBGS-UHFFFAOYSA-N
XLogP4.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
(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
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
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338041
[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
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone (CID 59337865) is (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone is CSc1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is WBUNHIIMSGUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS2/c1-15-19(27-20(22-15)16-6-5-9-18(14-16)26-2)21(25)24-12-10-23(11-13-24)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 401.60 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 59337865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).