5-(1,3-benzothiazol-2-yl)pyridin-2-amine

C12H9N3S — CID 4868360

IUPAC5-(1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C12H9N3S/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)
InChIKeyIOUXHHSEJFVUMU-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)pyridin-2-amine

5-(1,3-benzothiazol-2-yl)pyridin-2-amine (PubChem CID 4868360) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)pyridin-2-amine
PubChem CID4868360
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name5-(1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C12H9N3S/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)
InChIKeyIOUXHHSEJFVUMU-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
2-(2-Pyridinyl)benzothiazole
CID 12856
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949693
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)pyridin-2-amine (CID 4868360) is 5-(1,3-benzothiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)pyridin-2-amine is Nc1ccc(-c2nc3ccccc3s2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)pyridin-2-amine?
The InChIKey is IOUXHHSEJFVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14).
What are the key properties of 5-(1,3-benzothiazol-2-yl)pyridin-2-amine?
5-(1,3-benzothiazol-2-yl)pyridin-2-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 4868360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).