2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

C20H27N3OS — CID 120754217

IUPAC2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1C1CNCCN1Cc1csc(C2CCCC2)n1
InChIInChI=1S/C20H27N3OS/c1-24-19-9-5-4-8-17(19)18-12-21-10-11-23(18)13-16-14-25-20(22-16)15-6-2-3-7-15/h4-5,8-9,14-15,18,21H,2-3,6-7,10-13H2,1H3
InChIKeyBIVWPAJKKJLYDS-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.96
Rot. Bonds5

About 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 120754217) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID120754217
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1C1CNCCN1Cc1csc(C2CCCC2)n1
InChIInChI=1S/C20H27N3OS/c1-24-19-9-5-4-8-17(19)18-12-21-10-11-23(18)13-16-14-25-20(22-16)15-6-2-3-7-15/h4-5,8-9,14-15,18,21H,2-3,6-7,10-13H2,1H3
InChIKeyBIVWPAJKKJLYDS-UHFFFAOYSA-N
XLogP3.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-cyclopropyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910295
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 120753675
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 120754217) is 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is COc1ccccc1C1CNCCN1Cc1csc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BIVWPAJKKJLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-24-19-9-5-4-8-17(19)18-12-21-10-11-23(18)13-16-14-25-20(22-16)15-6-2-3-7-15/h4-5,8-9,14-15,18,21H,2-3,6-7,10-13H2,1H3.
What are the key properties of 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 357.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120754217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).