(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

C20H25N3OS2 — CID 134020884

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cscn1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25N3OS2/c24-20(23-11-9-22(10-12-23)17-5-1-2-6-17)18-7-3-4-8-19(18)26-14-16-13-25-15-21-16/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14H2
InChIKeyFJKIKJRWNKNYPW-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.14
Rot. Bonds5

About (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone (PubChem CID 134020884) has the molecular formula C20H25N3OS2 and a molecular weight of 387.57 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
PubChem CID134020884
Molecular FormulaC20H25N3OS2
Molecular Weight387.57 g/mol
Exact Mass387.14
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cscn1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25N3OS2/c24-20(23-11-9-22(10-12-23)17-5-1-2-6-17)18-7-3-4-8-19(18)26-14-16-13-25-15-21-16/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14H2
InChIKeyFJKIKJRWNKNYPW-UHFFFAOYSA-N
XLogP4.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone;dihydrochloride
CID 119492611
(3-methylphenyl)-[4-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 38463492
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
CID 30767973
[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
CID 55536453
2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 55566985
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)phenyl]sulfanyl-N-cyclooctylacetamide
CID 86860207
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46403262
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 46562684
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 30392570
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155278

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone (CID 134020884) is (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone is O=C(c1ccccc1SCc1cscn1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?
The InChIKey is FJKIKJRWNKNYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS2/c24-20(23-11-9-22(10-12-23)17-5-1-2-6-17)18-7-3-4-8-19(18)26-14-16-13-25-15-21-16/h3-4,7-8,13,15,17H,1-2,5-6,9-12,14H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 387.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 134020884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).