1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

C15H19FN2S — CID 112642847

IUPAC1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1cncs1
InChIInChI=1S/C15H19FN2S/c1-2-6-18-14(9-15-10-17-11-19-15)8-12-4-3-5-13(16)7-12/h3-5,7,10-11,14,18H,2,6,8-9H2,1H3
InChIKeyFVVFSSDHFRIQKU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.44
Rot. Bonds7

About 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642847) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642847
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)Cc1cncs1
InChIInChI=1S/C15H19FN2S/c1-2-6-18-14(9-15-10-17-11-19-15)8-12-4-3-5-13(16)7-12/h3-5,7,10-11,14,18H,2,6,8-9H2,1H3
InChIKeyFVVFSSDHFRIQKU-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-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

Related Compounds

1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801501
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
[1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105206643
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642847) is 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(Cc1cccc(F)c1)Cc1cncs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is FVVFSSDHFRIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-2-6-18-14(9-15-10-17-11-19-15)8-12-4-3-5-13(16)7-12/h3-5,7,10-11,14,18H,2,6,8-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).