4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol

C18H11F2N3OS — CID 155521759

IUPAC4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol
SMILESNc1ncc(-c2ccc3ncsc3c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H11F2N3OS/c19-13-4-10(5-14(20)17(13)24)12-3-11(7-22-18(12)21)9-1-2-15-16(6-9)25-8-23-15/h1-8,24H,(H2,21,22)
InChIKeyQUGCQIPMQMLYFW-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.59
Rot. Bonds2

About 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol

4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol (PubChem CID 155521759) has the molecular formula C18H11F2N3OS and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol
PubChem CID155521759
Molecular FormulaC18H11F2N3OS
Molecular Weight355.37 g/mol
Exact Mass355.06
IUPAC Name4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol
SMILESNc1ncc(-c2ccc3ncsc3c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H11F2N3OS/c19-13-4-10(5-14(20)17(13)24)12-3-11(7-22-18(12)21)9-1-2-15-16(6-9)25-8-23-15/h1-8,24H,(H2,21,22)
InChIKeyQUGCQIPMQMLYFW-UHFFFAOYSA-N
XLogP4.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol?
The IUPAC name of 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol (CID 155521759) is 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol?
The canonical SMILES for 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol is Nc1ncc(-c2ccc3ncsc3c2)cc1-c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol?
The InChIKey is QUGCQIPMQMLYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3OS/c19-13-4-10(5-14(20)17(13)24)12-3-11(7-22-18(12)21)9-1-2-15-16(6-9)25-8-23-15/h1-8,24H,(H2,21,22).
What are the key properties of 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol?
4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol has a molecular weight of 355.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(1,3-benzothiazol-6-yl)-3-pyridinyl]-2,6-difluorophenol is sourced from PubChem (CID 155521759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).