2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

C13H10FN3OS — CID 70694624

IUPAC2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ncc(-c2nc3ccc(O)cc3s2)cc1F
InChIInChI=1S/C13H10FN3OS/c1-15-12-9(14)4-7(6-16-12)13-17-10-3-2-8(18)5-11(10)19-13/h2-6,18H,1H3,(H,15,16)
InChIKeyYSMJWWCAVAYWDC-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.24
Rot. Bonds2

About 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 70694624) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID70694624
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ncc(-c2nc3ccc(O)cc3s2)cc1F
InChIInChI=1S/C13H10FN3OS/c1-15-12-9(14)4-7(6-16-12)13-17-10-3-2-8(18)5-11(10)19-13/h2-6,18H,1H3,(H,15,16)
InChIKeyYSMJWWCAVAYWDC-UHFFFAOYSA-N
XLogP3.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 70694624) is 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is CNc1ncc(-c2nc3ccc(O)cc3s2)cc1F.
What is the InChIKey of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is YSMJWWCAVAYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-15-12-9(14)4-7(6-16-12)13-17-10-3-2-8(18)5-11(10)19-13/h2-6,18H,1H3,(H,15,16).
What are the key properties of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 275.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 70694624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).