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

C15H15BrClN3S — CID 107946543

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrClN3S/c1-2-18-14(10-5-11(16)7-12(17)6-10)8-13-9-20-3-4-21-15(20)19-13/h3-7,9,14,18H,2,8H2,1H3
InChIKeyZQPMWJKYFYZIJB-UHFFFAOYSA-N
MW384.73 g/mol
LogP4.70
Rot. Bonds5

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

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 107946543) has the molecular formula C15H15BrClN3S and a molecular weight of 384.73 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID107946543
Molecular FormulaC15H15BrClN3S
Molecular Weight384.73 g/mol
Exact Mass382.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrClN3S/c1-2-18-14(10-5-11(16)7-12(17)6-10)8-13-9-20-3-4-21-15(20)19-13/h3-7,9,14,18H,2,8H2,1H3
InChIKeyZQPMWJKYFYZIJB-UHFFFAOYSA-N
XLogP4.70
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
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-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
[1-(3,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 107979339
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
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-(5-methyl-3-pyridinyl)ethanamine
CID 105174221
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023486

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 107946543) is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is CCNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is ZQPMWJKYFYZIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3S/c1-2-18-14(10-5-11(16)7-12(17)6-10)8-13-9-20-3-4-21-15(20)19-13/h3-7,9,14,18H,2,8H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 384.73 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 107946543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).