5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide

C15H12FN3OS — CID 107802448

IUPAC5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C15H12FN3OS/c1-8-4-9(17)5-11(14(8)16)15(20)19-10-2-3-12-13(6-10)21-7-18-12/h2-7H,17H2,1H3,(H,19,20)
InChIKeyYWSPUCPDNQDNOW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.58
Rot. Bonds2

About 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide

5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide (PubChem CID 107802448) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
PubChem CID107802448
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C15H12FN3OS/c1-8-4-9(17)5-11(14(8)16)15(20)19-10-2-3-12-13(6-10)21-7-18-12/h2-7H,17H2,1H3,(H,19,20)
InChIKeyYWSPUCPDNQDNOW-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.58
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-6-yl)-3-methylbenzamide
CID 107802478
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide (CID 107802448) is 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2ccc3ncsc3c2)c1F.
What is the InChIKey of 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is YWSPUCPDNQDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-8-4-9(17)5-11(14(8)16)15(20)19-10-2-3-12-13(6-10)21-7-18-12/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide?
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 107802448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).