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

C15H19ClN2S — CID 112644237

IUPAC2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cncs1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-2-7-17-9-12(8-13-10-18-11-19-13)14-5-3-4-6-15(14)16/h3-6,10-12,17H,2,7-9H2,1H3
InChIKeyDFGAHESUAZISCD-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.12
Rot. Bonds7

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

2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644237) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644237
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cncs1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-2-7-17-9-12(8-13-10-18-11-19-13)14-5-3-4-6-15(14)16/h3-6,10-12,17H,2,7-9H2,1H3
InChIKeyDFGAHESUAZISCD-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644237) is 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is CCCNCC(Cc1cncs1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is DFGAHESUAZISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-7-17-9-12(8-13-10-18-11-19-13)14-5-3-4-6-15(14)16/h3-6,10-12,17H,2,7-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).