2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine

C7H8BrN3S — CID 130047867

IUPAC2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine
SMILESNCCc1ncn2c(Br)csc12
InChIInChI=1S/C7H8BrN3S/c8-6-3-12-7-5(1-2-9)10-4-11(6)7/h3-4H,1-2,9H2
InChIKeyWHCAALRSKPKBBB-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.66
Rot. Bonds2

About 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine

2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine (PubChem CID 130047867) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine
PubChem CID130047867
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine
SMILESNCCc1ncn2c(Br)csc12
InChIInChI=1S/C7H8BrN3S/c8-6-3-12-7-5(1-2-9)10-4-11(6)7/h3-4H,1-2,9H2
InChIKeyWHCAALRSKPKBBB-UHFFFAOYSA-N
XLogP1.66
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83827517
2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 573597
2-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83867384
2-(5-bromo-1-methylpyrazol-3-yl)ethanamine
CID 83852151
2-(3-bromoimidazo[1,2-a]pyridin-6-yl)ethanamine
CID 83843131
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
imidazo[5,1-b][1,3]thiazole-3,7-diol
CID 21107714
2-(7-methylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83827519
2-(3-bromo-6-methylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821758
2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
CID 14375242
2-(3-chloropyrazin-2-yl)ethanamine
CID 134588133
2-[4-bromo-1-(4-ethylphenyl)pyrazol-3-yl]ethanamine
CID 116818567

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine?
The IUPAC name of 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine (CID 130047867) is 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine.
What is the SMILES notation for 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine?
The canonical SMILES for 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine is NCCc1ncn2c(Br)csc12.
What is the InChIKey of 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine?
The InChIKey is WHCAALRSKPKBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3S/c8-6-3-12-7-5(1-2-9)10-4-11(6)7/h3-4H,1-2,9H2.
What are the key properties of 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine?
2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine has a molecular weight of 246.13 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoimidazo[5,1-b][1,3]thiazol-7-yl)ethanamine is sourced from PubChem (CID 130047867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).