2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone

C23H29N3O2S2 — CID 55566985

IUPAC2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cs1
InChIInChI=1S/C23H29N3O2S2/c1-17-24-19(15-29-17)16-30-21-9-5-4-8-20(21)23(28)26-12-10-25(11-13-26)22(27)14-18-6-2-3-7-18/h4-5,8-9,15,18H,2-3,6-7,10-14,16H2,1H3
InChIKeyLBQRVBDSVVNYSI-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 55566985) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID55566985
Molecular FormulaC23H29N3O2S2
Molecular Weight443.64 g/mol
Exact Mass443.17
IUPAC Name2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cs1
InChIInChI=1S/C23H29N3O2S2/c1-17-24-19(15-29-17)16-30-21-9-5-4-8-20(21)23(28)26-12-10-25(11-13-26)22(27)14-18-6-2-3-7-18/h4-5,8-9,15,18H,2-3,6-7,10-14,16H2,1H3
InChIKeyLBQRVBDSVVNYSI-UHFFFAOYSA-N
XLogP4.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-hydroxy-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxylic acid
CID 119250807
(3S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-3-carboxylic acid
CID 119173516
[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 31306162
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607034
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607063
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 55562632
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 55671443
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
(4-cyclopentylpiperazin-1-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone
CID 134020884
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119600746
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone (CID 55566985) is 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone is Cc1nc(CSc2ccccc2C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cs1.
What is the InChIKey of 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is LBQRVBDSVVNYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S2/c1-17-24-19(15-29-17)16-30-21-9-5-4-8-20(21)23(28)26-12-10-25(11-13-26)22(27)14-18-6-2-3-7-18/h4-5,8-9,15,18H,2-3,6-7,10-14,16H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 443.64 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55566985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).