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

C13H15BrN2S — CID 64544083

IUPAC1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN2S/c1-3-15-9(2)12-8-17-13(16-12)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3
InChIKeyDTNPONDZWVUBFJ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.24
Rot. Bonds4

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

1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64544083) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64544083
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN2S/c1-3-15-9(2)12-8-17-13(16-12)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3
InChIKeyDTNPONDZWVUBFJ-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[2-(2-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 107111648
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543276
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101
1-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 79427319
1-[2-(7-bromo-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544710
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543684
N-ethyl-1-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545097
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64544083) is 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(-c2ccccc2Br)n1.
What is the InChIKey of 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is DTNPONDZWVUBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-3-15-9(2)12-8-17-13(16-12)10-6-4-5-7-11(10)14/h4-9,15H,3H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64544083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).