3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid

C9H9N3O4S — CID 72877180

IUPAC3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cn2ccsc2n1
InChIInChI=1S/C9H9N3O4S/c13-4-6(8(15)16)10-7(14)5-3-12-1-2-17-9(12)11-5/h1-3,6,13H,4H2,(H,10,14)(H,15,16)
InChIKeyALMNNGCNNWHCAO-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.43
Rot. Bonds4

About 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid

3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid (PubChem CID 72877180) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
PubChem CID72877180
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cn2ccsc2n1
InChIInChI=1S/C9H9N3O4S/c13-4-6(8(15)16)10-7(14)5-3-12-1-2-17-9(12)11-5/h1-3,6,13H,4H2,(H,10,14)(H,15,16)
InChIKeyALMNNGCNNWHCAO-UHFFFAOYSA-N
XLogP-0.43
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid (CID 72877180) is 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid is O=C(NC(CO)C(=O)O)c1cn2ccsc2n1.
What is the InChIKey of 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid?
The InChIKey is ALMNNGCNNWHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-4-6(8(15)16)10-7(14)5-3-12-1-2-17-9(12)11-5/h1-3,6,13H,4H2,(H,10,14)(H,15,16).
What are the key properties of 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid?
3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid has a molecular weight of 255.25 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid is sourced from PubChem (CID 72877180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).