4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid

C11H13N3O3S — CID 7150819

IUPAC4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c15-9(1-2-10(16)17)12-4-3-8-7-14-5-6-18-11(14)13-8/h5-7H,1-4H2,(H,12,15)(H,16,17)
InChIKeyGGXRURKZNPDNOU-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.92
Rot. Bonds6

About 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid

4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid (PubChem CID 7150819) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid
PubChem CID7150819
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C11H13N3O3S/c15-9(1-2-10(16)17)12-4-3-8-7-14-5-6-18-11(14)13-8/h5-7H,1-4H2,(H,12,15)(H,16,17)
InChIKeyGGXRURKZNPDNOU-UHFFFAOYSA-N
XLogP0.92
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid (CID 7150819) is 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCCc1cn2ccsc2n1.
What is the InChIKey of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid?
The InChIKey is GGXRURKZNPDNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-9(1-2-10(16)17)12-4-3-8-7-14-5-6-18-11(14)13-8/h5-7H,1-4H2,(H,12,15)(H,16,17).
What are the key properties of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid?
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid has a molecular weight of 267.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 7150819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).