3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride

C8H8BrClN2O2S — CID 45480273

IUPAC3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cn2cc(Br)sc2n1
InChIInChI=1S/C8H7BrN2O2S.ClH/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6;/h3-4H,1-2H2,(H,12,13);1H
InChIKeyKMDHBXXAOXPFIC-UHFFFAOYSA-N
MW311.59 g/mol
LogP2.60
Rot. Bonds3

About 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride

3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride (PubChem CID 45480273) has the molecular formula C8H8BrClN2O2S and a molecular weight of 311.59 g/mol. Its IUPAC name is 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
PubChem CID45480273
Molecular FormulaC8H8BrClN2O2S
Molecular Weight311.59 g/mol
Exact Mass309.92
IUPAC Name3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cn2cc(Br)sc2n1
InChIInChI=1S/C8H7BrN2O2S.ClH/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6;/h3-4H,1-2H2,(H,12,13);1H
InChIKeyKMDHBXXAOXPFIC-UHFFFAOYSA-N
XLogP2.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.59
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride (CID 45480273) is 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1cn2cc(Br)sc2n1.
What is the InChIKey of 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The InChIKey is KMDHBXXAOXPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S.ClH/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6;/h3-4H,1-2H2,(H,12,13);1H.
What are the key properties of 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride has a molecular weight of 311.59 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 45480273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).