3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C15H10BrClN2OS — CID 107951417

IUPAC3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(Cl)cc(Br)c3)sc2c1
InChIInChI=1S/C15H10BrClN2OS/c1-8-2-3-12-13(4-8)21-15(18-12)19-14(20)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19,20)
InChIKeyHMXPVYSGGFNUTE-UHFFFAOYSA-N
MW381.68 g/mol
LogP5.27
Rot. Bonds2

About 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 107951417) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID107951417
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(Cl)cc(Br)c3)sc2c1
InChIInChI=1S/C15H10BrClN2OS/c1-8-2-3-12-13(4-8)21-15(18-12)19-14(20)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19,20)
InChIKeyHMXPVYSGGFNUTE-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
CID 18854098
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
3,5-dichloro-4-heptoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18854102
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 107951417) is 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3cc(Cl)cc(Br)c3)sc2c1.
What is the InChIKey of 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HMXPVYSGGFNUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c1-8-2-3-12-13(4-8)21-15(18-12)19-14(20)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 381.68 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 107951417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).