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

C14H11N3OS — CID 823541

IUPACN-(2-amino-1,3-benzothiazol-6-yl)benzamide
SMILESNc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C14H11N3OS/c15-14-17-11-7-6-10(8-12(11)19-14)16-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,17)(H,16,18)
InChIKeyQYAOPDWNAYHNHC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.13
Rot. Bonds2

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

N-(2-amino-1,3-benzothiazol-6-yl)benzamide (PubChem CID 823541) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)benzamide
PubChem CID823541
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)benzamide
SMILESNc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C14H11N3OS/c15-14-17-11-7-6-10(8-12(11)19-14)16-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,17)(H,16,18)
InChIKeyQYAOPDWNAYHNHC-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.13
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)-4-tert-butylbenzamide
CID 50882062
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)benzamide (CID 823541) is N-(2-amino-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)benzamide is Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QYAOPDWNAYHNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-14-17-11-7-6-10(8-12(11)19-14)16-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)benzamide?
N-(2-amino-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 269.33 g/mol, XLogP of 3.13, 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)benzamide is sourced from PubChem (CID 823541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).