1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C15H15Br2N3S — CID 105023646

IUPAC1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2N3S/c1-2-18-14(12-7-10(16)3-4-13(12)17)8-11-9-20-5-6-21-15(20)19-11/h3-7,9,14,18H,2,8H2,1H3
InChIKeyANSRREZSHSRBTO-UHFFFAOYSA-N
MW429.18 g/mol
LogP4.81
Rot. Bonds5

About 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 105023646) has the molecular formula C15H15Br2N3S and a molecular weight of 429.18 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID105023646
Molecular FormulaC15H15Br2N3S
Molecular Weight429.18 g/mol
Exact Mass426.94
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2N3S/c1-2-18-14(12-7-10(16)3-4-13(12)17)8-11-9-20-5-6-21-15(20)19-11/h3-7,9,14,18H,2,8H2,1H3
InChIKeyANSRREZSHSRBTO-UHFFFAOYSA-N
XLogP4.81
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 82789604
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 107946543
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023486
1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 107968859
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105174221

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 105023646) is 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is CCNC(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is ANSRREZSHSRBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3S/c1-2-18-14(12-7-10(16)3-4-13(12)17)8-11-9-20-5-6-21-15(20)19-11/h3-7,9,14,18H,2,8H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 429.18 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 105023646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).