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

C13H14FN3OS — CID 54906209

IUPAC2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(14)3-4-12(11)15/h3-6H,7,15H2,1-2H3
InChIKeyBJJLNUBMCXBKMF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds3

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

2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 54906209) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID54906209
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(14)3-4-12(11)15/h3-6H,7,15H2,1-2H3
InChIKeyBJJLNUBMCXBKMF-UHFFFAOYSA-N
XLogP2.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5299222
2-(Thiazol-5-ylmethyl)-1H-indazol-3(2H)-one
CID 14898745
Quinolinone, 10
CID 42618038
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42618042
Benzamide derivative, 13a
CID 44263456
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-Sulfanyl-3-((1,3-thiazol-2-yl)methyl)-3,4-dihydroquinazolin-4-one
CID 54964597
Benzamide derivative, 13i
CID 44263464
Benzamide derivative, 13r
CID 44263473
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 164621499
N-phenyl-3-[1-(1,3-thiazol-5-ylcarbonyl)-4-piperidinyl]propanamide
CID 24817156
N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 156013017

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 54906209) is 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CN(C)C(=O)c2cc(F)ccc2N)s1.
What is the InChIKey of 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is BJJLNUBMCXBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-16-6-10(19-8)7-17(2)13(18)11-5-9(14)3-4-12(11)15/h3-6H,7,15H2,1-2H3.
What are the key properties of 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 54906209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).