2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline

C10H11FN4S — CID 107349767

IUPAC2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
SMILESCn1cnnc1SCc1cccc(N)c1F
InChIInChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5,12H2,1H3
InChIKeyLRVCKUJHHLPOGN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.83
Rot. Bonds3

About 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline

2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline (PubChem CID 107349767) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
PubChem CID107349767
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
SMILESCn1cnnc1SCc1cccc(N)c1F
InChIInChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5,12H2,1H3
InChIKeyLRVCKUJHHLPOGN-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline 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-N'-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118364
2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118452
3-[(3-amino-2-fluorophenyl)methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785865
2-fluoro-3-(pyridin-4-ylsulfanylmethyl)aniline
CID 107349838
2-fluoro-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)aniline
CID 107349773
2-fluoro-3-(phenylsulfanylmethyl)aniline
CID 107349748
3-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 889614
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitroaniline
CID 107352582
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730
3-[(4-chlorophenyl)sulfanylmethyl]-2-fluoroaniline
CID 107349747

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The IUPAC name of 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline (CID 107349767) is 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline.
What is the SMILES notation for 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The canonical SMILES for 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline is Cn1cnnc1SCc1cccc(N)c1F.
What is the InChIKey of 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The InChIKey is LRVCKUJHHLPOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5,12H2,1H3.
What are the key properties of 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 107349767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).