N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide

C11H12FN5OS — CID 166313547

IUPACN-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C11H12FN5OS/c1-19-5-4-10(18)13-7-2-3-9(12)8(6-7)11-14-16-17-15-11/h2-3,6H,4-5H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPQGIVQXIJSNNCY-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds5

About N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide

N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide (PubChem CID 166313547) has the molecular formula C11H12FN5OS and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide
PubChem CID166313547
Molecular FormulaC11H12FN5OS
Molecular Weight281.32 g/mol
Exact Mass281.07
IUPAC NameN-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C11H12FN5OS/c1-19-5-4-10(18)13-7-2-3-9(12)8(6-7)11-14-16-17-15-11/h2-3,6H,4-5H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPQGIVQXIJSNNCY-UHFFFAOYSA-N
XLogP1.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide 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

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
N-[(4-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872774
N-[(3-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872775
2-ethylsulfanyl-4,6-dioxo-N-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidine-5-carboxamide
CID 162369483
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
N-[3-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 14253817
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-yl)phenyl]butanamide
CID 14253819
2-(2-fluorophenyl)-N-[3-(1H-tetrazol-5-yl)phenyl]acetamide
CID 6465912
2-(2H-tetrazol-5-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 172434732

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide (CID 166313547) is N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1.
What is the InChIKey of N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide?
The InChIKey is PQGIVQXIJSNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5OS/c1-19-5-4-10(18)13-7-2-3-9(12)8(6-7)11-14-16-17-15-11/h2-3,6H,4-5H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide?
N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 166313547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).