2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole

C19H21N3O2S — CID 91560748

IUPAC2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole
SMILESCC(Oc1ccc(Oc2nc3ccccc3s2)cc1)N1CCNCC1
InChIInChI=1S/C19H21N3O2S/c1-14(22-12-10-20-11-13-22)23-15-6-8-16(9-7-15)24-19-21-17-4-2-3-5-18(17)25-19/h2-9,14,20H,10-13H2,1H3
InChIKeyRFQWXYQAGKRZCS-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole

2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole (PubChem CID 91560748) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole
PubChem CID91560748
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole
SMILESCC(Oc1ccc(Oc2nc3ccccc3s2)cc1)N1CCNCC1
InChIInChI=1S/C19H21N3O2S/c1-14(22-12-10-20-11-13-22)23-15-6-8-16(9-7-15)24-19-21-17-4-2-3-5-18(17)25-19/h2-9,14,20H,10-13H2,1H3
InChIKeyRFQWXYQAGKRZCS-UHFFFAOYSA-N
XLogP3.72
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[benzenesulfonyl(piperazin-1-yl)methyl]phenoxy]-1,3-benzothiazole
CID 69154922
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
2-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]-1,3-benzothiazole
CID 142996899
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
4-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylbutan-2-amine
CID 154645733
2-[4-[2-(azepan-1-yl)ethyl]phenoxy]-1,3-benzothiazole
CID 11451021
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
2-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenoxy]-1,3-benzothiazole
CID 91258771
2-[4-[2-piperidin-4-yl-2-(sulfamoylamino)ethyl]phenoxy]-1,3-benzothiazole;hydrochloride
CID 69146720
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-[4-[2-(1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]phenoxy]-1,3-benzothiazole
CID 141110870
2-[(4-ethylphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
CID 3458423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The IUPAC name of 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole (CID 91560748) is 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole is CC(Oc1ccc(Oc2nc3ccccc3s2)cc1)N1CCNCC1.
What is the InChIKey of 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
The InChIKey is RFQWXYQAGKRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(22-12-10-20-11-13-22)23-15-6-8-16(9-7-15)24-19-21-17-4-2-3-5-18(17)25-19/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole?
2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole has a molecular weight of 355.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-piperazin-1-ylethoxy)phenoxy]-1,3-benzothiazole is sourced from PubChem (CID 91560748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).