2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine

C18H13N3S — CID 170267129

IUPAC2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
SMILESc1ccc(-c2nc3ccc(Nc4ccccn4)cc3s2)cc1
InChIInChI=1S/C18H13N3S/c1-2-6-13(7-3-1)18-21-15-10-9-14(12-16(15)22-18)20-17-8-4-5-11-19-17/h1-12H,(H,19,20)
InChIKeyJTDQOHJBALUGCC-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.10
Rot. Bonds3

About 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine

2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine (PubChem CID 170267129) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
PubChem CID170267129
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
SMILESc1ccc(-c2nc3ccc(Nc4ccccn4)cc3s2)cc1
InChIInChI=1S/C18H13N3S/c1-2-6-13(7-3-1)18-21-15-10-9-14(12-16(15)22-18)20-17-8-4-5-11-19-17/h1-12H,(H,19,20)
InChIKeyJTDQOHJBALUGCC-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine (CID 170267129) is 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine is c1ccc(-c2nc3ccc(Nc4ccccn4)cc3s2)cc1.
What is the InChIKey of 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The InChIKey is JTDQOHJBALUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-2-6-13(7-3-1)18-21-15-10-9-14(12-16(15)22-18)20-17-8-4-5-11-19-17/h1-12H,(H,19,20).
What are the key properties of 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine has a molecular weight of 303.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 170267129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).