2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine

C13H15FN2S — CID 112643958

IUPAC2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cncs1
InChIInChI=1S/C13H15FN2S/c14-12-3-1-2-10(5-12)4-11(7-15)6-13-8-16-9-17-13/h1-3,5,8-9,11H,4,6-7,15H2
InChIKeyMMICPFJTBKMGQK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.64
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine

2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112643958) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112643958
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cncs1
InChIInChI=1S/C13H15FN2S/c14-12-3-1-2-10(5-12)4-11(7-15)6-13-8-16-9-17-13/h1-3,5,8-9,11H,4,6-7,15H2
InChIKeyMMICPFJTBKMGQK-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)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

2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774451
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112643958) is 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine is NCC(Cc1cccc(F)c1)Cc1cncs1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is MMICPFJTBKMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c14-12-3-1-2-10(5-12)4-11(7-15)6-13-8-16-9-17-13/h1-3,5,8-9,11H,4,6-7,15H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112643958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).