N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C15H21FN4S — CID 66194045

IUPACN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C15H21FN4S/c1-15(2,3)17-10-12-11-20(19-18-12)8-9-21-14-7-5-4-6-13(14)16/h4-7,11,17H,8-10H2,1-3H3
InChIKeyPOSVRBZSLLZKPU-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds6

About N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66194045) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66194045
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC NameN-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C15H21FN4S/c1-15(2,3)17-10-12-11-20(19-18-12)8-9-21-14-7-5-4-6-13(14)16/h4-7,11,17H,8-10H2,1-3H3
InChIKeyPOSVRBZSLLZKPU-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Related Compounds

N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-2-amine
CID 66193179
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2,2,2-trifluoro-1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanone
CID 62579598
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193617
2-methyl-N-[[1-(2-thiophen-2-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194003
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66194045) is N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(CCSc2ccccc2F)nn1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is POSVRBZSLLZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-15(2,3)17-10-12-11-20(19-18-12)8-9-21-14-7-5-4-6-13(14)16/h4-7,11,17H,8-10H2,1-3H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66194045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).