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

C14H9F2N3OS — CID 63187259

IUPAC4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2nc3ccccc3s2)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-8-5-7(6-9(16)12(8)17)13(20)19-14-18-10-3-1-2-4-11(10)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeySKBRIDRHGCGCKH-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.41
Rot. Bonds2

About 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide

4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide (PubChem CID 63187259) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
PubChem CID63187259
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2nc3ccccc3s2)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-8-5-7(6-9(16)12(8)17)13(20)19-14-18-10-3-1-2-4-11(10)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeySKBRIDRHGCGCKH-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'}

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Related Compounds

3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 79758434
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
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
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N'-(1,3-benzothiazol-2-yl)-3,4-difluorobenzohydrazide
CID 167897163
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide (CID 63187259) is 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide is Nc1c(F)cc(C(=O)Nc2nc3ccccc3s2)cc1F.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide?
The InChIKey is SKBRIDRHGCGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-8-5-7(6-9(16)12(8)17)13(20)19-14-18-10-3-1-2-4-11(10)21-14/h1-6H,17H2,(H,18,19,20).
What are the key properties of 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide?
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-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 4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 63187259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).