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

C14H16FN3OS — CID 103296531

IUPAC5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(N)cc(C)c1F)c1nccs1
InChIInChI=1S/C14H16FN3OS/c1-3-11(14-17-4-5-20-14)18-13(19)10-7-9(16)6-8(2)12(10)15/h4-7,11H,3,16H2,1-2H3,(H,18,19)
InChIKeyGXGDIBPMZGVDDE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.05
Rot. Bonds4

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

5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 103296531) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID103296531
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(N)cc(C)c1F)c1nccs1
InChIInChI=1S/C14H16FN3OS/c1-3-11(14-17-4-5-20-14)18-13(19)10-7-9(16)6-8(2)12(10)15/h4-7,11H,3,16H2,1-2H3,(H,18,19)
InChIKeyGXGDIBPMZGVDDE-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.05
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-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
CID 103296385
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
2-(2-aminoethoxy)-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 118783713
2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125169864
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (CID 103296531) is 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is CCC(NC(=O)c1cc(N)cc(C)c1F)c1nccs1.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is GXGDIBPMZGVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-3-11(14-17-4-5-20-14)18-13(19)10-7-9(16)6-8(2)12(10)15/h4-7,11H,3,16H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 3.05, 4 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-[1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 103296531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).