6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide

C20H14FN3OS — CID 58342198

IUPAC6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc([18F])nc4)cc3)sc2c1
InChIInChI=1S/C20H14FN3OS/c1-12-2-8-16-17(10-12)26-20(24-16)13-3-6-15(7-4-13)23-19(25)14-5-9-18(21)22-11-14/h2-11H,1H3,(H,23,25)/i21-1
InChIKeyUCQBNZWMGDNFIS-GJQNQZCXSA-N
MW362.42 g/mol
LogP5.06
Rot. Bonds3

About 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide

6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 58342198) has the molecular formula C20H14FN3OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID58342198
Molecular FormulaC20H14FN3OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc([18F])nc4)cc3)sc2c1
InChIInChI=1S/C20H14FN3OS/c1-12-2-8-16-17(10-12)26-20(24-16)13-3-6-15(7-4-13)23-19(25)14-5-9-18(21)22-11-14/h2-11H,1H3,(H,23,25)/i21-1
InChIKeyUCQBNZWMGDNFIS-GJQNQZCXSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
3-amino-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 91217889
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
6-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide;2-bromopyridine;carbon dioxide;4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 161138153
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423

Frequently Asked Questions

What is the IUPAC name of 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 58342198) is 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([18F])nc4)cc3)sc2c1.
What is the InChIKey of 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is UCQBNZWMGDNFIS-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H14FN3OS/c1-12-2-8-16-17(10-12)26-20(24-16)13-3-6-15(7-4-13)23-19(25)14-5-9-18(21)22-11-14/h2-11H,1H3,(H,23,25)/i21-1.
What are the key properties of 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58342198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).