N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C15H11BrN2OS — CID 126196449

IUPACN-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(Br)c3)cc2s1
InChIInChI=1S/C15H11BrN2OS/c1-9-17-13-6-5-10(7-14(13)20-9)15(19)18-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyPWVLRQMQCWPFIW-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.62
Rot. Bonds2

About N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 126196449) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID126196449
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(Br)c3)cc2s1
InChIInChI=1S/C15H11BrN2OS/c1-9-17-13-6-5-10(7-14(13)20-9)15(19)18-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyPWVLRQMQCWPFIW-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-(3-bromophenyl)-7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2-carboxamide
CID 86263639
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 79703749
2-methyl-N-(3-oct-7-ynoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 87646423
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 126196449) is N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(Br)c3)cc2s1.
What is the InChIKey of N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is PWVLRQMQCWPFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-9-17-13-6-5-10(7-14(13)20-9)15(19)18-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 347.24 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 126196449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).