1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C19H16N4OS2 — CID 7096387

IUPAC1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H16N4OS2/c24-18(13-5-6-14-17(11-13)25-12-20-14)22-7-9-23(10-8-22)19-21-15-3-1-2-4-16(15)26-19/h1-6,11-12H,7-10H2
InChIKeyXPSLWRBYQMNCIE-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.87
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7096387) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7096387
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H16N4OS2/c24-18(13-5-6-14-17(11-13)25-12-20-14)22-7-9-23(10-8-22)19-21-15-3-1-2-4-16(15)26-19/h1-6,11-12H,7-10H2
InChIKeyXPSLWRBYQMNCIE-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7096387) is 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XPSLWRBYQMNCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c24-18(13-5-6-14-17(11-13)25-12-20-14)22-7-9-23(10-8-22)19-21-15-3-1-2-4-16(15)26-19/h1-6,11-12H,7-10H2.
What are the key properties of 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7096387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).