2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid

C10H8N2O4S2 — CID 89199451

IUPAC2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
SMILESO=C(Nc1ncc(S(=O)O)s1)c1cccc(O)c1
InChIInChI=1S/C10H8N2O4S2/c13-7-3-1-2-6(4-7)9(14)12-10-11-5-8(17-10)18(15)16/h1-5,13H,(H,15,16)(H,11,12,14)
InChIKeyOZUPVBZFACFKFF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.68
Rot. Bonds3

About 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid

2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid (PubChem CID 89199451) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid.

Molecular Properties

Compound Name2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
PubChem CID89199451
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
SMILESO=C(Nc1ncc(S(=O)O)s1)c1cccc(O)c1
InChIInChI=1S/C10H8N2O4S2/c13-7-3-1-2-6(4-7)9(14)12-10-11-5-8(17-10)18(15)16/h1-5,13H,(H,15,16)(H,11,12,14)
InChIKeyOZUPVBZFACFKFF-UHFFFAOYSA-N
XLogP1.68
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
[2-[(3-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinic acid
CID 174602871
3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863879
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
3-methyl-N-[5-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 7161875
3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide
CID 143777775
3-hydroxy-N-thiophen-3-ylbenzamide
CID 66353330
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid?
The IUPAC name of 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid (CID 89199451) is 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid.
What is the SMILES notation for 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid?
The canonical SMILES for 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid is O=C(Nc1ncc(S(=O)O)s1)c1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid?
The InChIKey is OZUPVBZFACFKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-7-3-1-2-6(4-7)9(14)12-10-11-5-8(17-10)18(15)16/h1-5,13H,(H,15,16)(H,11,12,14).
What are the key properties of 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid?
2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid has a molecular weight of 284.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid is sourced from PubChem (CID 89199451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).