4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid

C12H15N3O3S — CID 7150824

IUPAC4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1csc2nc(CCNC(=O)CCC(=O)O)cn12
InChIInChI=1S/C12H15N3O3S/c1-8-7-19-12-14-9(6-15(8)12)4-5-13-10(16)2-3-11(17)18/h6-7H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyRLVWOHCTJREBEK-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.23
Rot. Bonds6

About 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid

4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 7150824) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid
PubChem CID7150824
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid
SMILESCc1csc2nc(CCNC(=O)CCC(=O)O)cn12
InChIInChI=1S/C12H15N3O3S/c1-8-7-19-12-14-9(6-15(8)12)4-5-13-10(16)2-3-11(17)18/h6-7H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyRLVWOHCTJREBEK-UHFFFAOYSA-N
XLogP1.23
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid (CID 7150824) is 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid is Cc1csc2nc(CCNC(=O)CCC(=O)O)cn12.
What is the InChIKey of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is RLVWOHCTJREBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-7-19-12-14-9(6-15(8)12)4-5-13-10(16)2-3-11(17)18/h6-7H,2-5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid?
4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 281.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 7150824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).