3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide

C14H9ClFN3OS — CID 43436936

IUPAC3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1F
InChIInChI=1S/C14H9ClFN3OS/c15-8-2-4-11-12(6-8)21-14(18-11)19-13(20)7-1-3-9(16)10(17)5-7/h1-6H,17H2,(H,18,19,20)
InChIKeyVYBLILRFNAPEJD-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 43436936) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID43436936
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1F
InChIInChI=1S/C14H9ClFN3OS/c15-8-2-4-11-12(6-8)21-14(18-11)19-13(20)7-1-3-9(16)10(17)5-7/h1-6H,17H2,(H,18,19,20)
InChIKeyVYBLILRFNAPEJD-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.92
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

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 43436936) is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1F.
What is the InChIKey of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is VYBLILRFNAPEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-8-2-4-11-12(6-8)21-14(18-11)19-13(20)7-1-3-9(16)10(17)5-7/h1-6H,17H2,(H,18,19,20).
What are the key properties of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 43436936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).