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

C13H15BrN2S — CID 116968369

IUPAC2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C13H15BrN2S/c1-2-15-8-7-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyYKUXNMJYURPXSA-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.72
Rot. Bonds5

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

2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine (PubChem CID 116968369) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
PubChem CID116968369
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C13H15BrN2S/c1-2-15-8-7-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyYKUXNMJYURPXSA-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.72
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

N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 116968382
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965664
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
CID 79832741
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116969230
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine (CID 116968369) is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine is CCNCCc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
The InChIKey is YKUXNMJYURPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-15-8-7-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine?
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 116968369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).