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

C12H14N3O3S- — CID 7150823

IUPAC4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate
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)/p-1
InChIKeyRLVWOHCTJREBEK-UHFFFAOYSA-M
MW280.33 g/mol
LogP-0.11
Rot. Bonds6

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

4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate (PubChem CID 7150823) has the molecular formula C12H14N3O3S- and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate
PubChem CID7150823
Molecular FormulaC12H14N3O3S-
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate
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)/p-1
InChIKeyRLVWOHCTJREBEK-UHFFFAOYSA-M
XLogP-0.11
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-oxobutanoate?
The IUPAC name of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate (CID 7150823) is 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate 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-oxobutanoate?
The InChIKey is RLVWOHCTJREBEK-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate?
4-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoate has a molecular weight of 280.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-oxobutanoate is sourced from PubChem (CID 7150823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).