2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid

C12H15N3O5S — CID 108787618

IUPAC2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC1=CSC2=NCCN12)C(=O)O
InChIInChI=1S/C12H15N3O5S/c16-9(14-8(11(19)20)1-2-10(17)18)5-7-6-21-12-13-3-4-15(7)12/h6,8H,1-5H2,(H,14,16)(H,17,18)(H,19,20)
InChIKeyDSDAYUBRYCBXKZ-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.07
Rot. Bonds7

About 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid

2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid (PubChem CID 108787618) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid
PubChem CID108787618
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC1=CSC2=NCCN12)C(=O)O
InChIInChI=1S/C12H15N3O5S/c16-9(14-8(11(19)20)1-2-10(17)18)5-7-6-21-12-13-3-4-15(7)12/h6,8H,1-5H2,(H,14,16)(H,17,18)(H,19,20)
InChIKeyDSDAYUBRYCBXKZ-UHFFFAOYSA-N
XLogP0.07
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic 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 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid (CID 108787618) is 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)CC1=CSC2=NCCN12)C(=O)O.
What is the InChIKey of 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid?
The InChIKey is DSDAYUBRYCBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c16-9(14-8(11(19)20)1-2-10(17)18)5-7-6-21-12-13-3-4-15(7)12/h6,8H,1-5H2,(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid?
2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid has a molecular weight of 313.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 108787618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).