2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole

C21H22N4OS2 — CID 16941535

IUPAC2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4nc5cc(OC)ccc5s4)CC3)sc2c1
InChIInChI=1S/C21H22N4OS2/c1-3-14-4-6-16-19(12-14)28-20(22-16)24-8-10-25(11-9-24)21-23-17-13-15(26-2)5-7-18(17)27-21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFJZGEJNAJHHGGZ-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.80
Rot. Bonds4

About 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole

2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole (PubChem CID 16941535) has the molecular formula C21H22N4OS2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
PubChem CID16941535
Molecular FormulaC21H22N4OS2
Molecular Weight410.57 g/mol
Exact Mass410.12
IUPAC Name2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4nc5cc(OC)ccc5s4)CC3)sc2c1
InChIInChI=1S/C21H22N4OS2/c1-3-14-4-6-16-19(12-14)28-20(22-16)24-8-10-25(11-9-24)21-23-17-13-15(26-2)5-7-18(17)27-21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyFJZGEJNAJHHGGZ-UHFFFAOYSA-N
XLogP4.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-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-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 41320853
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7538941
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7538935
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
N-ethyl-4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide
CID 108781518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole (CID 16941535) is 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole is CCc1ccc2nc(N3CCN(c4nc5cc(OC)ccc5s4)CC3)sc2c1.
What is the InChIKey of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole?
The InChIKey is FJZGEJNAJHHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS2/c1-3-14-4-6-16-19(12-14)28-20(22-16)24-8-10-25(11-9-24)21-23-17-13-15(26-2)5-7-18(17)27-21/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole?
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole has a molecular weight of 410.57 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole is sourced from PubChem (CID 16941535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).