5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C13H11N3OS — CID 56717682

IUPAC5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ncccc1-c1ccc2sc(N)nc2c1
InChIInChI=1S/C13H11N3OS/c1-17-12-9(3-2-6-15-12)8-4-5-11-10(7-8)16-13(14)18-11/h2-7H,1H3,(H2,14,16)
InChIKeyATXRQFDGXRZEPL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.95
Rot. Bonds2

About 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 56717682) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID56717682
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ncccc1-c1ccc2sc(N)nc2c1
InChIInChI=1S/C13H11N3OS/c1-17-12-9(3-2-6-15-12)8-4-5-11-10(7-8)16-13(14)18-11/h2-7H,1H3,(H2,14,16)
InChIKeyATXRQFDGXRZEPL-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824
2-methoxypyridin-3-amine;4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161477912
3-(4-bromophenyl)-2-methoxypyridine
CID 66862331
(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethanamine
CID 67245959
2-(2-amino-1,3-benzothiazol-5-yl)isoindole-1,3-dione
CID 168518820
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 145349648
2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
CID 63383673
5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 173176261

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 56717682) is 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is COc1ncccc1-c1ccc2sc(N)nc2c1.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is ATXRQFDGXRZEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-12-9(3-2-6-15-12)8-4-5-11-10(7-8)16-13(14)18-11/h2-7H,1H3,(H2,14,16).
What are the key properties of 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 56717682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).