3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

C13H15ClN2S — CID 115089531

IUPAC3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2S/c1-15-8-4-5-10-9-17-13(16-10)11-6-2-3-7-12(11)14/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyJGSBWYHHEHQOPY-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.62
Rot. Bonds5

About 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115089531) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
PubChem CID115089531
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2S/c1-15-8-4-5-10-9-17-13(16-10)11-6-2-3-7-12(11)14/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyJGSBWYHHEHQOPY-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.62
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

3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089135
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110284947
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]cyclopentanamine
CID 110624868
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (CID 115089531) is 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is CNCCCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is JGSBWYHHEHQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-15-8-4-5-10-9-17-13(16-10)11-6-2-3-7-12(11)14/h2-3,6-7,9,15H,4-5,8H2,1H3.
What are the key properties of 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 266.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115089531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).