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

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Related Compounds

Diamthazole
CID 8708
N-(1-(4-(4-fluorophenoxy)butyl)-4-piperidinyl)-N-methyl-2-benzothiazolamine
CID 108043
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086337
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949690
4-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 3240629
N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
CID 7105772
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzothiazole
CID 24949857
6-methoxy-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086350
N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
CID 566936
Diamthazole (hydrochloride)
CID 9551617
Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine
CID 9951886

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).