5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C13H14FN3OS — CID 61110078

IUPAC5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(15)3-4-12(11)14/h3-6H,7,15H2,1-2H3
InChIKeyGGWMZFANGGOLDL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds3

About 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 61110078) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID61110078
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(15)3-4-12(11)14/h3-6H,7,15H2,1-2H3
InChIKeyGGWMZFANGGOLDL-UHFFFAOYSA-N
XLogP2.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
CID 119859279
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998544

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 61110078) is 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CN(C)C(=O)c2cc(N)ccc2F)s1.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is GGWMZFANGGOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(15)3-4-12(11)14/h3-6H,7,15H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 61110078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).