N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

C13H14FN3OS — CID 54862658

IUPACN-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2csc(C)n2)ccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(18)16-13-5-10(3-4-12(13)14)15-6-11-7-19-9(2)17-11/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyPELJLMRTOSDVTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.16
Rot. Bonds4

About N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 54862658) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
PubChem CID54862658
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2csc(C)n2)ccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(18)16-13-5-10(3-4-12(13)14)15-6-11-7-19-9(2)17-11/h3-5,7,15H,6H2,1-2H3,(H,16,18)
InChIKeyPELJLMRTOSDVTD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide 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

2-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 115485203
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86856078
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
(2-methyl-1,3-thiazol-4-yl)methyl 5-acetamido-2-fluorobenzoate
CID 154775171
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (CID 54862658) is N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2csc(C)n2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is PELJLMRTOSDVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(18)16-13-5-10(3-4-12(13)14)15-6-11-7-19-9(2)17-11/h3-5,7,15H,6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 54862658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).