2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid

C14H13N3O5S — CID 27404541

IUPAC2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
SMILESO=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O5S/c18-9-2-1-7(5-8(9)13(21)22)16-11(19)6-10-12(20)17-4-3-15-14(17)23-10/h1-2,5,10,18H,3-4,6H2,(H,16,19)(H,21,22)/t10-/m1/s1
InChIKeyJIXQGMKJELDANA-SNVBAGLBSA-N
MW335.34 g/mol
LogP0.73
Rot. Bonds4

About 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid

2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid (PubChem CID 27404541) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
PubChem CID27404541
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
SMILESO=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O5S/c18-9-2-1-7(5-8(9)13(21)22)16-11(19)6-10-12(20)17-4-3-15-14(17)23-10/h1-2,5,10,18H,3-4,6H2,(H,16,19)(H,21,22)/t10-/m1/s1
InChIKeyJIXQGMKJELDANA-SNVBAGLBSA-N
XLogP0.73
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoic acid
CID 43826898
N-(4-fluorophenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 28976953
N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859781
N-(3,5-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264916
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 53264892
N-[4-(diethylamino)phenyl]-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264964
methyl 2-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 52900547
methyl 4-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53264941
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53264943
N-(2,4-dimethoxyphenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859796
2-hydroxy-5-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863925

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid (CID 27404541) is 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid is O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid?
The InChIKey is JIXQGMKJELDANA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O5S/c18-9-2-1-7(5-8(9)13(21)22)16-11(19)6-10-12(20)17-4-3-15-14(17)23-10/h1-2,5,10,18H,3-4,6H2,(H,16,19)(H,21,22)/t10-/m1/s1.
What are the key properties of 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid?
2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid has a molecular weight of 335.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid is sourced from PubChem (CID 27404541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).