N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine

C18H11N5OS — CID 59679872

IUPACN-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
SMILESc1cc(Nc2nc3ccccc3s2)nc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C18H11N5OS/c1-2-8-14-11(5-1)21-18(25-14)22-15-9-3-6-12(20-15)17-23-16-13(24-17)7-4-10-19-16/h1-10H,(H,20,21,22)
InChIKeyCRBBRJVVRKKBGB-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.64
Rot. Bonds3

About N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine

N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 59679872) has the molecular formula C18H11N5OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID59679872
Molecular FormulaC18H11N5OS
Molecular Weight345.39 g/mol
Exact Mass345.07
IUPAC NameN-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
SMILESc1cc(Nc2nc3ccccc3s2)nc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C18H11N5OS/c1-2-8-14-11(5-1)21-18(25-14)22-15-9-3-6-12(20-15)17-23-16-13(24-17)7-4-10-19-16/h1-10H,(H,20,21,22)
InChIKeyCRBBRJVVRKKBGB-UHFFFAOYSA-N
XLogP4.64
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine (CID 59679872) is N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine is c1cc(Nc2nc3ccccc3s2)nc(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is CRBBRJVVRKKBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS/c1-2-8-14-11(5-1)21-18(25-14)22-15-9-3-6-12(20-15)17-23-16-13(24-17)7-4-10-19-16/h1-10H,(H,20,21,22).
What are the key properties of N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 345.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).