1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine

C16H20F2N2S — CID 62798826

IUPAC1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1csc(C)n1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2S/c1-3-6-19-14(9-15-10-21-11(2)20-15)8-12-7-13(17)4-5-16(12)18/h4-5,7,10,14,19H,3,6,8-9H2,1-2H3
InChIKeyOIGVJFHJGSEOQK-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.88
Rot. Bonds7

About 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine

1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine (PubChem CID 62798826) has the molecular formula C16H20F2N2S and a molecular weight of 310.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
PubChem CID62798826
Molecular FormulaC16H20F2N2S
Molecular Weight310.41 g/mol
Exact Mass310.13
IUPAC Name1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1csc(C)n1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2S/c1-3-6-19-14(9-15-10-21-11(2)20-15)8-12-7-13(17)4-5-16(12)18/h4-5,7,10,14,19H,3,6,8-9H2,1-2H3
InChIKeyOIGVJFHJGSEOQK-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-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

1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105394886
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798822
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine (CID 62798826) is 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1csc(C)n1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is OIGVJFHJGSEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2S/c1-3-6-19-14(9-15-10-21-11(2)20-15)8-12-7-13(17)4-5-16(12)18/h4-5,7,10,14,19H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 310.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 62798826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).