2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid

C14H11N3O3S — CID 43353052

IUPAC2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cn2ccsc2n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11N3O3S/c18-12(7-9-8-17-5-6-21-14(17)15-9)16-11-4-2-1-3-10(11)13(19)20/h1-6,8H,7H2,(H,16,18)(H,19,20)
InChIKeyCCJSDNZXGKBYMO-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.28
Rot. Bonds4

About 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid

2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid (PubChem CID 43353052) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid
PubChem CID43353052
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid
SMILESO=C(Cc1cn2ccsc2n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11N3O3S/c18-12(7-9-8-17-5-6-21-14(17)15-9)16-11-4-2-1-3-10(11)13(19)20/h1-6,8H,7H2,(H,16,18)(H,19,20)
InChIKeyCCJSDNZXGKBYMO-UHFFFAOYSA-N
XLogP2.28
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid?
The IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid (CID 43353052) is 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid is O=C(Cc1cn2ccsc2n1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid?
The InChIKey is CCJSDNZXGKBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-12(7-9-8-17-5-6-21-14(17)15-9)16-11-4-2-1-3-10(11)13(19)20/h1-6,8H,7H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid?
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid has a molecular weight of 301.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 43353052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).