4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

C12H16N2O2S — CID 80661512

IUPAC4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCC(C)c1cn2c(CCCC(=O)O)csc2n1
InChIInChI=1S/C12H16N2O2S/c1-8(2)10-6-14-9(4-3-5-11(15)16)7-17-12(14)13-10/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyJLXCMPZMFQMBCJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.93
Rot. Bonds5

About 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (PubChem CID 80661512) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
PubChem CID80661512
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCC(C)c1cn2c(CCCC(=O)O)csc2n1
InChIInChI=1S/C12H16N2O2S/c1-8(2)10-6-14-9(4-3-5-11(15)16)7-17-12(14)13-10/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyJLXCMPZMFQMBCJ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (CID 80661512) is 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is CC(C)c1cn2c(CCCC(=O)O)csc2n1.
What is the InChIKey of 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The InChIKey is JLXCMPZMFQMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)10-6-14-9(4-3-5-11(15)16)7-17-12(14)13-10/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is sourced from PubChem (CID 80661512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).