2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide

C14H10ClN3OS — CID 29284368

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS/c15-8-5-6-10(16)9(7-8)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,16H2,(H,17,18,19)
InChIKeyLJLPMKZHSQHZIJ-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.78
Rot. Bonds2

About 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide

2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide (PubChem CID 29284368) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
PubChem CID29284368
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS/c15-8-5-6-10(16)9(7-8)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,16H2,(H,17,18,19)
InChIKeyLJLPMKZHSQHZIJ-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.78
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)benzamide
CID 828314
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 79758434
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 62153414
N-(1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitrobenzamide
CID 3512224
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide (CID 29284368) is 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide is Nc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide?
The InChIKey is LJLPMKZHSQHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-8-5-6-10(16)9(7-8)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,16H2,(H,17,18,19).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide?
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide has a molecular weight of 303.77 g/mol, XLogP of 3.78, 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)-5-chlorobenzamide is sourced from PubChem (CID 29284368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).