[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone

C18H15N5O2S — CID 70706577

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H15N5O2S/c24-17(12-5-6-13-15(11-12)21-25-20-13)22-7-9-23(10-8-22)18-19-14-3-1-2-4-16(14)26-18/h1-6,11H,7-10H2
InChIKeyVBULKDQYFQVJFZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.79
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone (PubChem CID 70706577) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone
PubChem CID70706577
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H15N5O2S/c24-17(12-5-6-13-15(11-12)21-25-20-13)22-7-9-23(10-8-22)18-19-14-3-1-2-4-16(14)26-18/h1-6,11H,7-10H2
InChIKeyVBULKDQYFQVJFZ-UHFFFAOYSA-N
XLogP2.79
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone (CID 70706577) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone is O=C(c1ccc2nonc2c1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone?
The InChIKey is VBULKDQYFQVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-17(12-5-6-13-15(11-12)21-25-20-13)22-7-9-23(10-8-22)18-19-14-3-1-2-4-16(14)26-18/h1-6,11H,7-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone has a molecular weight of 365.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone is sourced from PubChem (CID 70706577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).