4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C21H15FN2OS — CID 1126404

IUPAC4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)sc2c1
InChIInChI=1S/C21H15FN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25)
InChIKeyBQQHKIIUGHNHIZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.66
Rot. Bonds3

About 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 1126404) has the molecular formula C21H15FN2OS and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID1126404
Molecular FormulaC21H15FN2OS
Molecular Weight362.43 g/mol
Exact Mass362.09
IUPAC Name4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)sc2c1
InChIInChI=1S/C21H15FN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25)
InChIKeyBQQHKIIUGHNHIZ-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 58342198
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
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
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
3-amino-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 91217889
1-[2-(4-fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108902175
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 1126404) is 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)sc2c1.
What is the InChIKey of 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is BQQHKIIUGHNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25).
What are the key properties of 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1126404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).