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

C15H19N3OS — CID 124943474

IUPAC2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1[C@@H]1CNCCN1Cc1nccs1
InChIInChI=1S/C15H19N3OS/c1-19-14-5-3-2-4-12(14)13-10-16-6-8-18(13)11-15-17-7-9-20-15/h2-5,7,9,13,16H,6,8,10-11H2,1H3/t13-/m0/s1
InChIKeyBCTLXZPJGMTFRS-ZDUSSCGKSA-N
MW289.40 g/mol
LogP2.30
Rot. Bonds4

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

2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 124943474) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID124943474
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1[C@@H]1CNCCN1Cc1nccs1
InChIInChI=1S/C15H19N3OS/c1-19-14-5-3-2-4-12(14)13-10-16-6-8-18(13)11-15-17-7-9-20-15/h2-5,7,9,13,16H,6,8,10-11H2,1H3/t13-/m0/s1
InChIKeyBCTLXZPJGMTFRS-ZDUSSCGKSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753443
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 124943474) is 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is COc1ccccc1[C@@H]1CNCCN1Cc1nccs1.
What is the InChIKey of 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BCTLXZPJGMTFRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-14-5-3-2-4-12(14)13-10-16-6-8-18(13)11-15-17-7-9-20-15/h2-5,7,9,13,16H,6,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124943474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).