2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

C16H15N3OS — CID 60636051

IUPAC2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1C
InChIInChI=1S/C16H15N3OS/c1-9-3-5-12(7-10(9)2)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h3-8H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMLFGFHOFKQIMDB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds2

About 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60636051) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60636051
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1C
InChIInChI=1S/C16H15N3OS/c1-9-3-5-12(7-10(9)2)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h3-8H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMLFGFHOFKQIMDB-UHFFFAOYSA-N
XLogP3.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
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
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 60636051) is 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1C.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MLFGFHOFKQIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-9-3-5-12(7-10(9)2)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h3-8H,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60636051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).