1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C11H10BrN3S2 — CID 115333678

IUPAC1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3S2/c12-10-2-1-9(17-10)8(13)5-7-6-15-3-4-16-11(15)14-7/h1-4,6,8H,5,13H2
InChIKeyMZXRRNOYPUVJTQ-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.46
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 115333678) has the molecular formula C11H10BrN3S2 and a molecular weight of 328.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID115333678
Molecular FormulaC11H10BrN3S2
Molecular Weight328.26 g/mol
Exact Mass326.95
IUPAC Name1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrN3S2/c12-10-2-1-9(17-10)8(13)5-7-6-15-3-4-16-11(15)14-7/h1-4,6,8H,5,13H2
InChIKeyMZXRRNOYPUVJTQ-UHFFFAOYSA-N
XLogP3.46
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 114906198
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylimidazol-4-yl)ethanamine
CID 107976895
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127935

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 115333678) is 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is NC(Cc1cn2ccsc2n1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is MZXRRNOYPUVJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S2/c12-10-2-1-9(17-10)8(13)5-7-6-15-3-4-16-11(15)14-7/h1-4,6,8H,5,13H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 328.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 115333678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).