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

C15H19ClN2S — CID 79823913

IUPAC1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C15H19ClN2S/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,7-9,14,17H,2,6,10-11H2,1H3
InChIKeyFGNZBVHMLDJEBC-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.95
Rot. Bonds7

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

1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79823913) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79823913
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C15H19ClN2S/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,7-9,14,17H,2,6,10-11H2,1H3
InChIKeyFGNZBVHMLDJEBC-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79823913) is 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is CCCNC(Cc1cccc(Cl)c1)Cc1nccs1.
What is the InChIKey of 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is FGNZBVHMLDJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,7-9,14,17H,2,6,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 294.85 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).