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

C13H14FN3OS — CID 62660002

IUPAC3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C13H14FN3OS/c1-8-17-9(7-19-8)6-16-13(18)10-4-3-5-11(14)12(10)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyCAQSDTRWMNPXKJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.56
Rot. Bonds4

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

3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 62660002) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID62660002
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C13H14FN3OS/c1-8-17-9(7-19-8)6-16-13(18)10-4-3-5-11(14)12(10)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyCAQSDTRWMNPXKJ-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62174780
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 62660002) is 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is CNc1c(F)cccc1C(=O)NCc1csc(C)n1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is CAQSDTRWMNPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-17-9(7-19-8)6-16-13(18)10-4-3-5-11(14)12(10)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 62660002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).