2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine

C14H13N3OS2 — CID 63589198

IUPAC2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
SMILESCCOc1cccc(Sc2nc3ccc(N)cc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-2-18-12-4-3-5-13(17-12)20-14-16-10-7-6-9(15)8-11(10)19-14/h3-8H,2,15H2,1H3
InChIKeyFPJDDRWKWILUNU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.82
Rot. Bonds4

About 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine

2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine (PubChem CID 63589198) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
PubChem CID63589198
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
SMILESCCOc1cccc(Sc2nc3ccc(N)cc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-2-18-12-4-3-5-13(17-12)20-14-16-10-7-6-9(15)8-11(10)19-14/h3-8H,2,15H2,1H3
InChIKeyFPJDDRWKWILUNU-UHFFFAOYSA-N
XLogP3.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine (CID 63589198) is 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine is CCOc1cccc(Sc2nc3ccc(N)cc3s2)n1.
What is the InChIKey of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine?
The InChIKey is FPJDDRWKWILUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-2-18-12-4-3-5-13(17-12)20-14-16-10-7-6-9(15)8-11(10)19-14/h3-8H,2,15H2,1H3.
What are the key properties of 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine?
2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine has a molecular weight of 303.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 63589198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).