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

C12H12FN3OS — CID 61282063

IUPAC3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(F)c(N)c2)cs1
InChIInChI=1S/C12H12FN3OS/c1-7-16-9(6-18-7)5-15-12(17)8-2-3-10(13)11(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyFYZKJTKSLSKZBJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds3

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

3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 61282063) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID61282063
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(F)c(N)c2)cs1
InChIInChI=1S/C12H12FN3OS/c1-7-16-9(6-18-7)5-15-12(17)8-2-3-10(13)11(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyFYZKJTKSLSKZBJ-UHFFFAOYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.10
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

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
5-amino-2-bromo-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55118101
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 61282063) is 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(F)c(N)c2)cs1.
What is the InChIKey of 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is FYZKJTKSLSKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7-16-9(6-18-7)5-15-12(17)8-2-3-10(13)11(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61282063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).