1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine

C15H18Cl2N2S — CID 79824912

IUPAC1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2S/c1-2-5-18-13(10-15-19-6-7-20-15)8-11-3-4-12(16)9-14(11)17/h3-4,6-7,9,13,18H,2,5,8,10H2,1H3
InChIKeyFQEGIHXJLYJSEQ-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.60
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824912) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824912
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC Name1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2S/c1-2-5-18-13(10-15-19-6-7-20-15)8-11-3-4-12(16)9-14(11)17/h3-4,6-7,9,13,18H,2,5,8,10H2,1H3
InChIKeyFQEGIHXJLYJSEQ-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824781
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
1-(2,4-dichlorophenyl)-N-propylhex-4-yn-2-amine
CID 62309590
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824912) is 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is CCCNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is FQEGIHXJLYJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-2-5-18-13(10-15-19-6-7-20-15)8-11-3-4-12(16)9-14(11)17/h3-4,6-7,9,13,18H,2,5,8,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 329.30 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).