2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol

C14H11FN2OS — CID 15950376

IUPAC2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F]
InChIInChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1
InChIKeyVVECGOCJFKTUAX-HUYCHCPVSA-N
MW273.32 g/mol
LogP3.85
Rot. Bonds2

About 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol

2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol (PubChem CID 15950376) has the molecular formula C14H11FN2OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
PubChem CID15950376
Molecular FormulaC14H11FN2OS
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F]
InChIInChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1
InChIKeyVVECGOCJFKTUAX-HUYCHCPVSA-N
XLogP3.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxyphenyl)benzothiazole
CID 95745
Flutemetamol
CID 10107393
2-(2'-Hydroxyphenyl)benzothiazole
CID 18874
11C-PiB
CID 2826731
2-(4'-(Methylamino)phenyl)-6-hydroxybenzothiazole
CID 10171487
5-Amino-2-(1,3-benzothiazol-2-YL)phenol
CID 721102
4-Amino-2-(1,3-benzothiazol-2-yl)phenol
CID 738658
2-Methyl-1,3-benzothiazol-6-ol
CID 759304
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
2-(4-Amino-3-methylphenyl)-6-hydroxybenzothiazole
CID 396812
3-(1,3-Benzothiazol-2-yl)phenol
CID 242605
4-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]phenol
CID 404999

Frequently Asked Questions

What is the IUPAC name of 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol (CID 15950376) is 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol is CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F].
What is the InChIKey of 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol?
The InChIKey is VVECGOCJFKTUAX-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1.
What are the key properties of 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol?
2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol has a molecular weight of 273.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 15950376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).