2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole

C20H23N3OS2 — CID 24949383

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H23N3OS2/c1-24-18-8-4-3-7-17(18)23-12-10-22(11-13-23)14-15-25-20-21-16-6-2-5-9-19(16)26-20/h2-9H,10-15H2,1H3
InChIKeyJNIWBWPRMZRFLQ-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.22
Rot. Bonds6

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole (PubChem CID 24949383) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole
PubChem CID24949383
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole
SMILESCOc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H23N3OS2/c1-24-18-8-4-3-7-17(18)23-12-10-22(11-13-23)14-15-25-20-21-16-6-2-5-9-19(16)26-20/h2-9H,10-15H2,1H3
InChIKeyJNIWBWPRMZRFLQ-UHFFFAOYSA-N
XLogP4.22
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Phenoxymethyl)-1,3-benzothiazole
CID 700590
(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)methanol
CID 11211303
2-{4-[2-(Azepan-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11257168
1-{2-[4-(Benzothiazol-2-yloxy)-phenoxy]-ethyl}-piperidin-4-ol
CID 11303210
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
2-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11484587
2-{4-[2-(Piperidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 24901580
4-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}morpholine
CID 24901583
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-amine
CID 24901585
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949690
2-{4-[3-(Piperidin-1-yl)propoxy]phenoxy}-1,3-benzothiazole
CID 24901594

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole (CID 24949383) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole is COc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole?
The InChIKey is JNIWBWPRMZRFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-24-18-8-4-3-7-17(18)23-12-10-22(11-13-23)14-15-25-20-21-16-6-2-5-9-19(16)26-20/h2-9H,10-15H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole has a molecular weight of 385.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 24949383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).