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

C12H12FN3OS — CID 55100153

IUPAC2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(F)c2N)s1
InChIInChI=1S/C12H12FN3OS/c1-7-15-5-8(18-7)6-16-12(17)9-3-2-4-10(13)11(9)14/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyJDCHXVOPXJARID-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds3

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

2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 55100153) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID55100153
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(F)c2N)s1
InChIInChI=1S/C12H12FN3OS/c1-7-15-5-8(18-7)6-16-12(17)9-3-2-4-10(13)11(9)14/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyJDCHXVOPXJARID-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 55100153) is 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2cccc(F)c2N)s1.
What is the InChIKey of 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is JDCHXVOPXJARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7-15-5-8(18-7)6-16-12(17)9-3-2-4-10(13)11(9)14/h2-5H,6,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-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 2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 55100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).