2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H12FN5O2S — CID 100830214

IUPAC2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1nccs1
InChIInChI=1S/C14H12FN5O2S/c15-10-1-3-12(4-2-10)22-9-11-7-20(19-18-11)8-13(21)17-14-16-5-6-23-14/h1-7H,8-9H2,(H,16,17,21)
InChIKeyUROCBQWOPLBRGM-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.09
Rot. Bonds6

About 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 100830214) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID100830214
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1nccs1
InChIInChI=1S/C14H12FN5O2S/c15-10-1-3-12(4-2-10)22-9-11-7-20(19-18-11)8-13(21)17-14-16-5-6-23-14/h1-7H,8-9H2,(H,16,17,21)
InChIKeyUROCBQWOPLBRGM-UHFFFAOYSA-N
XLogP2.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)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

4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 119055253
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66194189
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 100831232
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
CID 155814179
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 100830214) is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UROCBQWOPLBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-10-1-3-12(4-2-10)22-9-11-7-20(19-18-11)8-13(21)17-14-16-5-6-23-14/h1-7H,8-9H2,(H,16,17,21).
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 100830214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).