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

C14H11N3OS — CID 828314

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-8H,15H2,(H,16,17,18)
InChIKeyWPBIYYZQESEPOB-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.13
Rot. Bonds2

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

2-amino-N-(1,3-benzothiazol-2-yl)benzamide (PubChem CID 828314) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)benzamide
PubChem CID828314
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-8H,15H2,(H,16,17,18)
InChIKeyWPBIYYZQESEPOB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 62153414
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)benzamide (CID 828314) is 2-amino-N-(1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)benzamide is Nc1ccccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WPBIYYZQESEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-10-6-2-1-5-9(10)13(18)17-14-16-11-7-3-4-8-12(11)19-14/h1-8H,15H2,(H,16,17,18).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)benzamide?
2-amino-N-(1,3-benzothiazol-2-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 2-amino-N-(1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 828314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).