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

C12H12FN3OS — CID 63279962

IUPAC3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H12FN3OS/c1-7-11(18-6-16-7)5-15-12(17)8-2-3-9(13)10(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyXVYREASGWVKRBB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds3

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

3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 63279962) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID63279962
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H12FN3OS/c1-7-11(18-6-16-7)5-15-12(17)8-2-3-9(13)10(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyXVYREASGWVKRBB-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 63281042
3-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 79773036
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
CID 63280729
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 63279962) is 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is XVYREASGWVKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7-11(18-6-16-7)5-15-12(17)8-2-3-9(13)10(14)4-8/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-amino-4-fluoro-N-[(4-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 3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 63279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).