2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

C13H10FN3OS — CID 70681870

IUPAC2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1
InChIInChI=1S/C13H10FN3OS/c1-15-11-5-3-8(12(14)17-11)13-16-9-4-2-7(18)6-10(9)19-13/h2-6,18H,1H3,(H,15,17)/i14-1
InChIKeyLRVIHTQIPWKSMT-UMSOTBISSA-N
MW274.31 g/mol
LogP3.24
Rot. Bonds2

About 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 70681870) has the molecular formula C13H10FN3OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID70681870
Molecular FormulaC13H10FN3OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1
InChIInChI=1S/C13H10FN3OS/c1-15-11-5-3-8(12(14)17-11)13-16-9-4-2-7(18)6-10(9)19-13/h2-6,18H,1H3,(H,15,17)/i14-1
InChIKeyLRVIHTQIPWKSMT-UMSOTBISSA-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 ≤ 500274.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Flutemetamol F-18
CID 15950376
Flutemetamol
CID 10107393
11C-PiB
CID 2826731
2-(4'-(Methylamino)phenyl)-6-hydroxybenzothiazole
CID 10171487
Azd-2184
CID 16663275
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
4-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 6458036
2-(3'-Iodo-4'-methylaminophenyl)-6-hydroxybenzothiazole
CID 10339843
N-(6-hydroxybenzothiazol-2-yl)-N'-phenylurea
CID 21413325
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
2-[6-(Methylamino)pyridin-3-yl]-1,3-benzothiazol-5-ol
CID 24803728
2-[2-(Dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804066

Frequently Asked Questions

What is the IUPAC name of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 70681870) is 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is CNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1.
What is the InChIKey of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is LRVIHTQIPWKSMT-UMSOTBISSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-15-11-5-3-8(12(14)17-11)13-16-9-4-2-7(18)6-10(9)19-13/h2-6,18H,1H3,(H,15,17)/i14-1.
What are the key properties of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 274.31 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-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 70681870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).