2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol

C18H13N3OS — CID 146253215

IUPAC2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
SMILESNc1ccc(-c2ccc(-c3nc4ccc(O)cc4s3)cc2)cn1
InChIInChI=1S/C18H13N3OS/c19-17-8-5-13(10-20-17)11-1-3-12(4-2-11)18-21-15-7-6-14(22)9-16(15)23-18/h1-10,22H,(H2,19,20)
InChIKeyPZAWSMVQMYXVTP-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.31
Rot. Bonds2

About 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol

2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol (PubChem CID 146253215) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
PubChem CID146253215
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
SMILESNc1ccc(-c2ccc(-c3nc4ccc(O)cc4s3)cc2)cn1
InChIInChI=1S/C18H13N3OS/c19-17-8-5-13(10-20-17)11-1-3-12(4-2-11)18-21-15-7-6-14(22)9-16(15)23-18/h1-10,22H,(H2,19,20)
InChIKeyPZAWSMVQMYXVTP-UHFFFAOYSA-N
XLogP4.31
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol (CID 146253215) is 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol is Nc1ccc(-c2ccc(-c3nc4ccc(O)cc4s3)cc2)cn1.
What is the InChIKey of 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol?
The InChIKey is PZAWSMVQMYXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-17-8-5-13(10-20-17)11-1-3-12(4-2-11)18-21-15-7-6-14(22)9-16(15)23-18/h1-10,22H,(H2,19,20).
What are the key properties of 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol?
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol has a molecular weight of 319.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 146253215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).