2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine

C16H21FN2S — CID 115979345

IUPAC2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)NCC(Cc1ccc(F)cc1)Cc1cncs1
InChIInChI=1S/C16H21FN2S/c1-12(2)19-9-14(8-16-10-18-11-20-16)7-13-3-5-15(17)6-4-13/h3-6,10-12,14,19H,7-9H2,1-2H3
InChIKeyLJMWUNZHUZMEMN-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.68
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine

2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 115979345) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID115979345
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)NCC(Cc1ccc(F)cc1)Cc1cncs1
InChIInChI=1S/C16H21FN2S/c1-12(2)19-9-14(8-16-10-18-11-20-16)7-13-3-5-15(17)6-4-13/h3-6,10-12,14,19H,7-9H2,1-2H3
InChIKeyLJMWUNZHUZMEMN-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645241
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036686
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645256

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 115979345) is 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine is CC(C)NCC(Cc1ccc(F)cc1)Cc1cncs1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LJMWUNZHUZMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-12(2)19-9-14(8-16-10-18-11-20-16)7-13-3-5-15(17)6-4-13/h3-6,10-12,14,19H,7-9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 115979345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).