N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C15H19FN2OS — CID 81304178

IUPACN-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(OC)cc1F
InChIInChI=1S/C15H19FN2OS/c1-3-6-17-14(10-15-18-7-8-20-15)12-5-4-11(19-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3
InChIKeyLWBPVASDXQGGPO-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds7

About N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 81304178) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID81304178
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(OC)cc1F
InChIInChI=1S/C15H19FN2OS/c1-3-6-17-14(10-15-18-7-8-20-15)12-5-4-11(19-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3
InChIKeyLWBPVASDXQGGPO-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]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-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 81304178) is N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccc(OC)cc1F.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is LWBPVASDXQGGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-3-6-17-14(10-15-18-7-8-20-15)12-5-4-11(19-2)9-13(12)16/h4-5,7-9,14,17H,3,6,10H2,1-2H3.
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 294.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81304178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).