1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

C14H19FN4S — CID 66051921

IUPAC1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CSc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-10(2)19-14(17-9-18-19)7-11(16)8-20-13-6-4-3-5-12(13)15/h3-6,9-11H,7-8,16H2,1-2H3
InChIKeySONGIOORFDYTJG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 66051921) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID66051921
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CSc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-10(2)19-14(17-9-18-19)7-11(16)8-20-13-6-4-3-5-12(13)15/h3-6,9-11H,7-8,16H2,1-2H3
InChIKeySONGIOORFDYTJG-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (CID 66051921) is 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is CC(C)n1ncnc1CC(N)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is SONGIOORFDYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-10(2)19-14(17-9-18-19)7-11(16)8-20-13-6-4-3-5-12(13)15/h3-6,9-11H,7-8,16H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 66051921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).