N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide

C15H13N3OS — CID 50882009

IUPACN-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H13N3OS/c1-9-3-2-4-10(7-9)14(19)17-11-5-6-12-13(8-11)20-15(16)18-12/h2-8H,1H3,(H2,16,18)(H,17,19)
InChIKeyZYKFICPPBKTMNZ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds2

About N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide

N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide (PubChem CID 50882009) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
PubChem CID50882009
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H13N3OS/c1-9-3-2-4-10(7-9)14(19)17-11-5-6-12-13(8-11)20-15(16)18-12/h2-8H,1H3,(H2,16,18)(H,17,19)
InChIKeyZYKFICPPBKTMNZ-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
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
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
3-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 2034693
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide (CID 50882009) is N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3nc(N)sc3c2)c1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The InChIKey is ZYKFICPPBKTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-3-2-4-10(7-9)14(19)17-11-5-6-12-13(8-11)20-15(16)18-12/h2-8H,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide?
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide has a molecular weight of 283.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide is sourced from PubChem (CID 50882009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).