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

C11H13N3O3S — CID 5310272

IUPAC4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid
SMILESCc1csc2nc(CNC(=O)CCC(=O)O)cn12
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11-13-8(5-14(7)11)4-12-9(15)2-3-10(16)17/h5-6H,2-4H2,1H3,(H,12,15)(H,16,17)
InChIKeySWXVHOMXUBDPGH-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.19
Rot. Bonds5

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

4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid (PubChem CID 5310272) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid
PubChem CID5310272
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid
SMILESCc1csc2nc(CNC(=O)CCC(=O)O)cn12
InChIInChI=1S/C11H13N3O3S/c1-7-6-18-11-13-8(5-14(7)11)4-12-9(15)2-3-10(16)17/h5-6H,2-4H2,1H3,(H,12,15)(H,16,17)
InChIKeySWXVHOMXUBDPGH-UHFFFAOYSA-N
XLogP1.19
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid (CID 5310272) is 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid is Cc1csc2nc(CNC(=O)CCC(=O)O)cn12.
What is the InChIKey of 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid?
The InChIKey is SWXVHOMXUBDPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-6-18-11-13-8(5-14(7)11)4-12-9(15)2-3-10(16)17/h5-6H,2-4H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid?
4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid has a molecular weight of 267.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 5310272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).