2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

C15H11BrN2OS2 — CID 7615172

IUPAC2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C15H11BrN2OS2/c1-20-11-7-4-8-12-13(11)17-15(21-12)18-14(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19)
InChIKeyFLSNFTNUQFYDMM-UHFFFAOYSA-N
MW379.30 g/mol
LogP5.03
Rot. Bonds3

About 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7615172) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7615172
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC Name2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C15H11BrN2OS2/c1-20-11-7-4-8-12-13(11)17-15(21-12)18-14(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19)
InChIKeyFLSNFTNUQFYDMM-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147781
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
2-chloro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 7615222
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (CID 7615172) is 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is CSc1cccc2sc(NC(=O)c3ccccc3Br)nc12.
What is the InChIKey of 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FLSNFTNUQFYDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c1-20-11-7-4-8-12-13(11)17-15(21-12)18-14(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 379.30 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7615172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).