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

C9H11ClN2O2S — CID 56777014

IUPAC3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
SMILESCc1cn2cc(CCC(=O)O)nc2s1.Cl
InChIInChI=1S/C9H10N2O2S.ClH/c1-6-4-11-5-7(2-3-8(12)13)10-9(11)14-6;/h4-5H,2-3H2,1H3,(H,12,13);1H
InChIKeyQKSIMVFVOOKUQC-UHFFFAOYSA-N
MW246.72 g/mol
LogP2.14
Rot. Bonds3

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

3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride (PubChem CID 56777014) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
PubChem CID56777014
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride
SMILESCc1cn2cc(CCC(=O)O)nc2s1.Cl
InChIInChI=1S/C9H10N2O2S.ClH/c1-6-4-11-5-7(2-3-8(12)13)10-9(11)14-6;/h4-5H,2-3H2,1H3,(H,12,13);1H
InChIKeyQKSIMVFVOOKUQC-UHFFFAOYSA-N
XLogP2.14
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride (CID 56777014) is 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride is Cc1cn2cc(CCC(=O)O)nc2s1.Cl.
What is the InChIKey of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
The InChIKey is QKSIMVFVOOKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.ClH/c1-6-4-11-5-7(2-3-8(12)13)10-9(11)14-6;/h4-5H,2-3H2,1H3,(H,12,13);1H.
What are the key properties of 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride?
3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride has a molecular weight of 246.72 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 56777014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).