2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine

C12H8ClN3S — CID 66202869

IUPAC2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(Cl)cn3)sc2c1
InChIInChI=1S/C12H8ClN3S/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,14H2
InChIKeyVEXABAPNMHQQEK-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.59
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine

2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine (PubChem CID 66202869) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine
PubChem CID66202869
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3ccc(Cl)cn3)sc2c1
InChIInChI=1S/C12H8ClN3S/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,14H2
InChIKeyVEXABAPNMHQQEK-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine (CID 66202869) is 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3ccc(Cl)cn3)sc2c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine?
The InChIKey is VEXABAPNMHQQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,14H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine?
2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine has a molecular weight of 261.74 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66202869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).