6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

C12H8ClN3OS — CID 89325859

IUPAC6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccnc(Cl)c3)cc2s1
InChIInChI=1S/C12H8ClN3OS/c13-11-6-8(3-4-15-11)17-7-1-2-9-10(5-7)18-12(14)16-9/h1-6H,(H2,14,16)
InChIKeyKKQOOJFVAPPFRD-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.72
Rot. Bonds2

About 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (PubChem CID 89325859) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
PubChem CID89325859
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccnc(Cl)c3)cc2s1
InChIInChI=1S/C12H8ClN3OS/c13-11-6-8(3-4-15-11)17-7-1-2-9-10(5-7)18-12(14)16-9/h1-6H,(H2,14,16)
InChIKeyKKQOOJFVAPPFRD-UHFFFAOYSA-N
XLogP3.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine;4-methylpentan-1-ol
CID 143564368
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
6-[[2-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 123705303
CID 158604119
CID 158604119
6-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 123779226
2-[[6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]-4-methylpentan-1-ol
CID 87421429
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
CID 91679953
6-[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325861
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (CID 89325859) is 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3ccnc(Cl)c3)cc2s1.
What is the InChIKey of 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
The InChIKey is KKQOOJFVAPPFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-11-6-8(3-4-15-11)17-7-1-2-9-10(5-7)18-12(14)16-9/h1-6H,(H2,14,16).
What are the key properties of 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine?
6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine has a molecular weight of 277.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).