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

C13H15ClN2S — CID 82103307

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-2-15-8-7-13-16-12(9-17-13)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyMJNXIJNJUDJEOZ-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.62
Rot. Bonds5

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

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine (PubChem CID 82103307) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
PubChem CID82103307
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-2-15-8-7-13-16-12(9-17-13)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyMJNXIJNJUDJEOZ-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

4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine (CID 82103307) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine is CCNCCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The InChIKey is MJNXIJNJUDJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-15-8-7-13-16-12(9-17-13)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine 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 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 82103307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).