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

C14H9F2N3OS — CID 79758434

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2nc3ccccc3s2)c1F
InChIInChI=1S/C14H9F2N3OS/c15-7-5-6-8(17)12(16)11(7)13(20)19-14-18-9-3-1-2-4-10(9)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyUUKBXGVXHUBNLC-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.41
Rot. Bonds2

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

3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide (PubChem CID 79758434) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
PubChem CID79758434
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2nc3ccccc3s2)c1F
InChIInChI=1S/C14H9F2N3OS/c15-7-5-6-8(17)12(16)11(7)13(20)19-14-18-9-3-1-2-4-10(9)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyUUKBXGVXHUBNLC-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686
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
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide (CID 79758434) is 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)Nc2nc3ccccc3s2)c1F.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
The InChIKey is UUKBXGVXHUBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-7-5-6-8(17)12(16)11(7)13(20)19-14-18-9-3-1-2-4-10(9)21-14/h1-6H,17H2,(H,18,19,20).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide?
3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide has a molecular weight of 305.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 79758434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).