2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide

C15H12BrN3OS — CID 107583466

IUPAC2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-11(5-8)18-14(20)9-2-3-12-13(6-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyJXWOBIZCTODVNL-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.20
Rot. Bonds2

About 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 107583466) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID107583466
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-11(5-8)18-14(20)9-2-3-12-13(6-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyJXWOBIZCTODVNL-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide (CID 107583466) is 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1cc(Br)cc(NC(=O)c2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is JXWOBIZCTODVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-11(5-8)18-14(20)9-2-3-12-13(6-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 107583466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).