2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid

C12H16N2O2S — CID 43464930

IUPAC2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
SMILESCCCc1nc2scc(CC(=O)O)n2c1CC
InChIInChI=1S/C12H16N2O2S/c1-3-5-9-10(4-2)14-8(6-11(15)16)7-17-12(14)13-9/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyWGAILRUBXPGQKN-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.54
Rot. Bonds5

About 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid

2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid (PubChem CID 43464930) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
PubChem CID43464930
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
SMILESCCCc1nc2scc(CC(=O)O)n2c1CC
InChIInChI=1S/C12H16N2O2S/c1-3-5-9-10(4-2)14-8(6-11(15)16)7-17-12(14)13-9/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyWGAILRUBXPGQKN-UHFFFAOYSA-N
XLogP2.54
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid (CID 43464930) is 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid is CCCc1nc2scc(CC(=O)O)n2c1CC.
What is the InChIKey of 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The InChIKey is WGAILRUBXPGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-5-9-10(4-2)14-8(6-11(15)16)7-17-12(14)13-9/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid has a molecular weight of 252.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid is sourced from PubChem (CID 43464930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).