2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide

C12H12FN3OS — CID 55119506

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1csc(N)n1)c1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-16(10-5-3-2-4-9(10)13)11(17)6-8-7-18-12(14)15-8/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyVZYGWCBMOJKFIM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide (PubChem CID 55119506) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
PubChem CID55119506
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1csc(N)n1)c1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-16(10-5-3-2-4-9(10)13)11(17)6-8-7-18-12(14)15-8/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyVZYGWCBMOJKFIM-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62797273
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 62799940
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62798161
2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62786731
methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 43423110
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027756
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide (CID 55119506) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1csc(N)n1)c1ccccc1F.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is VZYGWCBMOJKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-16(10-5-3-2-4-9(10)13)11(17)6-8-7-18-12(14)15-8/h2-5,7H,6H2,1H3,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 265.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).