N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C13H14F2N2S — CID 55129516

IUPACN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C13H14F2N2S/c1-2-5-16-7-13-17-12(8-18-13)10-4-3-9(14)6-11(10)15/h3-4,6,8,16H,2,5,7H2,1H3
InChIKeyIIDCHEWKVLZFKN-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.59
Rot. Bonds5

About N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 55129516) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID55129516
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C13H14F2N2S/c1-2-5-16-7-13-17-12(8-18-13)10-4-3-9(14)6-11(10)15/h3-4,6,8,16H,2,5,7H2,1H3
InChIKeyIIDCHEWKVLZFKN-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-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-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62543889
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 81278164
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55129663
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62388775

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 55129516) is N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IIDCHEWKVLZFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-2-5-16-7-13-17-12(8-18-13)10-4-3-9(14)6-11(10)15/h3-4,6,8,16H,2,5,7H2,1H3.
What are the key properties of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 268.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55129516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).