5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

C13H14FN3OS — CID 103296222

IUPAC5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(N)cc(C)c2F)cs1
InChIInChI=1S/C13H14FN3OS/c1-7-3-9(15)4-11(12(7)14)13(18)16-5-10-6-19-8(2)17-10/h3-4,6H,5,15H2,1-2H3,(H,16,18)
InChIKeyBGNOBZAJXIGOGL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.41
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 103296222) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID103296222
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(N)cc(C)c2F)cs1
InChIInChI=1S/C13H14FN3OS/c1-7-3-9(15)4-11(12(7)14)13(18)16-5-10-6-19-8(2)17-10/h3-4,6H,5,15H2,1-2H3,(H,16,18)
InChIKeyBGNOBZAJXIGOGL-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.41
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

5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 103296656
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112750831
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 103296222) is 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(N)cc(C)c2F)cs1.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is BGNOBZAJXIGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-7-3-9(15)4-11(12(7)14)13(18)16-5-10-6-19-8(2)17-10/h3-4,6H,5,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 103296222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).