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

C14H12FN5OS — CID 155510898

IUPAC2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C14H12FN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21)
InChIKeyJPZXJUWIFTZLBC-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.49
Rot. Bonds4

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

2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 155510898) has the molecular formula C14H12FN5OS and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID155510898
Molecular FormulaC14H12FN5OS
Molecular Weight317.35 g/mol
Exact Mass317.07
IUPAC Name2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cc(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C14H12FN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21)
InChIKeyJPZXJUWIFTZLBC-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-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

2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336906
3-Phenyl-1-[(4-phenyl-thiazol-2-ylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005681
1-{[4-(4-Fluoro-phenyl)-thiazol-2-ylcarbamoyl]-methyl}-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005688
3-(4-Fluoro-phenyl)-1-{[4-(4-fluoro-phenyl)-thiazol-2-ylcarbamoyl]-methyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005764
N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 70686829
N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71713908
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(4-nitrophenyl)triazol-1-yl]acetamide
CID 155510998
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155515390
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155518619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 155510898) is 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2cc(-c3ccc(F)cc3)nn2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JPZXJUWIFTZLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS/c1-9-8-22-14(16-9)17-13(21)7-20-6-12(18-19-20)10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3,(H,16,17,21).
What are the key properties of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155510898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).