(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone

C16H10N4O2S — CID 90057874

IUPAC(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
SMILESNc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1
InChIInChI=1S/C16H10N4O2S/c17-16-20-19-14(22-16)13(21)15-18-11-7-6-10(8-12(11)23-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20)
InChIKeySCAFTPAAHQXBCD-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.16
Rot. Bonds3

About (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone

(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone (PubChem CID 90057874) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
PubChem CID90057874
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
SMILESNc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1
InChIInChI=1S/C16H10N4O2S/c17-16-20-19-14(22-16)13(21)15-18-11-7-6-10(8-12(11)23-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20)
InChIKeySCAFTPAAHQXBCD-UHFFFAOYSA-N
XLogP3.16
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone (CID 90057874) is (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone is Nc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1.
What is the InChIKey of (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The InChIKey is SCAFTPAAHQXBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c17-16-20-19-14(22-16)13(21)15-18-11-7-6-10(8-12(11)23-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20).
What are the key properties of (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
(5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone has a molecular weight of 322.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 90057874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).