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

C9H10N2O2S — CID 52904010

IUPAC3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESCc1cn2c(CCC(=O)O)csc2n1
InChIInChI=1S/C9H10N2O2S/c1-6-4-11-7(2-3-8(12)13)5-14-9(11)10-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySGNBWZKMIADADR-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.72
Rot. Bonds3

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

3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (PubChem CID 52904010) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
PubChem CID52904010
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESCc1cn2c(CCC(=O)O)csc2n1
InChIInChI=1S/C9H10N2O2S/c1-6-4-11-7(2-3-8(12)13)5-14-9(11)10-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySGNBWZKMIADADR-UHFFFAOYSA-N
XLogP1.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (CID 52904010) is 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is Cc1cn2c(CCC(=O)O)csc2n1.
What is the InChIKey of 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The InChIKey is SGNBWZKMIADADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6-4-11-7(2-3-8(12)13)5-14-9(11)10-6/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid has a molecular weight of 210.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is sourced from PubChem (CID 52904010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).