5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine

C12H8ClN3OS — CID 64599988

IUPAC5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2cncc(Cl)c2)ccc2scnc12
InChIInChI=1S/C12H8ClN3OS/c13-7-3-8(5-15-4-7)17-9-1-2-10-12(11(9)14)16-6-18-10/h1-6H,14H2
InChIKeyLGBSCLNPOFOHFK-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.72
Rot. Bonds2

About 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine

5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine (PubChem CID 64599988) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine
PubChem CID64599988
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2cncc(Cl)c2)ccc2scnc12
InChIInChI=1S/C12H8ClN3OS/c13-7-3-8(5-15-4-7)17-9-1-2-10-12(11(9)14)16-6-18-10/h1-6H,14H2
InChIKeyLGBSCLNPOFOHFK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
CID 43554637
5-(4-tert-butylphenoxy)-1,3-benzothiazol-4-amine
CID 43451492
5-(4-methylsulfanylphenoxy)-1,3-benzothiazol-4-amine
CID 55246719
5-chloro-1,3-benzothiazol-4-amine
CID 21486281
5-propan-2-yloxy-1,3-benzothiazol-4-amine
CID 43451523
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
2-[(5-chloro-3-pyridinyl)oxy]-1,3-thiazol-5-amine
CID 102769518
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
CID 43451511
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
CID 82797816
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine (CID 64599988) is 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine is Nc1c(Oc2cncc(Cl)c2)ccc2scnc12.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine?
The InChIKey is LGBSCLNPOFOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-7-3-8(5-15-4-7)17-9-1-2-10-12(11(9)14)16-6-18-10/h1-6H,14H2.
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine?
5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-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 5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64599988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).