4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C15H14BrFN2OS — CID 26708495

IUPAC4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESC[C@@H]1CCc2nc(NC(=O)c3ccc(Br)cc3F)sc2C1
InChIInChI=1S/C15H14BrFN2OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)10-4-3-9(16)7-11(10)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyYRWNHCVEBZRWGQ-MRVPVSSYSA-N
MW369.26 g/mol
LogP4.42
Rot. Bonds2

About 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 26708495) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID26708495
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESC[C@@H]1CCc2nc(NC(=O)c3ccc(Br)cc3F)sc2C1
InChIInChI=1S/C15H14BrFN2OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)10-4-3-9(16)7-11(10)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,19,20)/t8-/m1/s1
InChIKeyYRWNHCVEBZRWGQ-MRVPVSSYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide with MolForge

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Related Compounds

2,4-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43027585
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
2,5-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 4280247
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 40820052
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
5-chloro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 2325211
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
1-(3-fluorophenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 56725378
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4690337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 26708495) is 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is C[C@@H]1CCc2nc(NC(=O)c3ccc(Br)cc3F)sc2C1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is YRWNHCVEBZRWGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c1-8-2-5-12-13(6-8)21-15(18-12)19-14(20)10-4-3-9(16)7-11(10)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,19,20)/t8-/m1/s1.
What are the key properties of 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 369.26 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 26708495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).