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

C19H18N4OS2 — CID 3240147

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12
InChIInChI=1S/C19H18N4OS2/c1-24-14-6-4-8-16-17(14)21-19(26-16)23-11-9-22(10-12-23)18-20-13-5-2-3-7-15(13)25-18/h2-8H,9-12H2,1H3
InChIKeyRPIKGMMXQXBQBM-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.24
Rot. Bonds3

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

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole (PubChem CID 3240147) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
PubChem CID3240147
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12
InChIInChI=1S/C19H18N4OS2/c1-24-14-6-4-8-16-17(14)21-19(26-16)23-11-9-22(10-12-23)18-20-13-5-2-3-7-15(13)25-18/h2-8H,9-12H2,1H3
InChIKeyRPIKGMMXQXBQBM-UHFFFAOYSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole (CID 3240147) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole is COc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole?
The InChIKey is RPIKGMMXQXBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-24-14-6-4-8-16-17(14)21-19(26-16)23-11-9-22(10-12-23)18-20-13-5-2-3-7-15(13)25-18/h2-8H,9-12H2,1H3.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole has a molecular weight of 382.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 3240147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).