4-aminobenzoic acid;1,3-thiazolidin-4-one

C10H12N2O3S — CID 161057728

IUPAC4-aminobenzoic acid;1,3-thiazolidin-4-one
SMILESNc1ccc(C(=O)O)cc1.O=C1CSCN1
InChIInChI=1S/C7H7NO2.C3H5NOS/c8-6-3-1-5(2-4-6)7(9)10;5-3-1-6-2-4-3/h1-4H,8H2,(H,9,10);1-2H2,(H,4,5)
InChIKeyUCZAQAQKFBDAAJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.77
Rot. Bonds1

About 4-aminobenzoic acid;1,3-thiazolidin-4-one

4-aminobenzoic acid;1,3-thiazolidin-4-one (PubChem CID 161057728) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-aminobenzoic acid;1,3-thiazolidin-4-one.

Molecular Properties

Compound Name4-aminobenzoic acid;1,3-thiazolidin-4-one
PubChem CID161057728
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-aminobenzoic acid;1,3-thiazolidin-4-one
SMILESNc1ccc(C(=O)O)cc1.O=C1CSCN1
InChIInChI=1S/C7H7NO2.C3H5NOS/c8-6-3-1-5(2-4-6)7(9)10;5-3-1-6-2-4-3/h1-4H,8H2,(H,9,10);1-2H2,(H,4,5)
InChIKeyUCZAQAQKFBDAAJ-UHFFFAOYSA-N
XLogP0.77
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzoic acid;hydrofluoride
CID 159690577
4-aminobenzoic acid;1,3-diazinane-2,4,6-trione
CID 139205213
bis(4-aminobenzoic acid);ethene
CID 158776608
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
ethane;1,3-thiazolidin-4-one
CID 143338421
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
bis(4-aminobenzoic acid);oxolane
CID 66588912
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154
terephthalic acid
CID 160582437
4-amino-3-deuteriobenzoic acid
CID 175767328
bis(4-aminobenzoic acid);butane-1,1-diol
CID 66968350

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;1,3-thiazolidin-4-one?
The IUPAC name of 4-aminobenzoic acid;1,3-thiazolidin-4-one (CID 161057728) is 4-aminobenzoic acid;1,3-thiazolidin-4-one.
What is the SMILES notation for 4-aminobenzoic acid;1,3-thiazolidin-4-one?
The canonical SMILES for 4-aminobenzoic acid;1,3-thiazolidin-4-one is Nc1ccc(C(=O)O)cc1.O=C1CSCN1.
What is the InChIKey of 4-aminobenzoic acid;1,3-thiazolidin-4-one?
The InChIKey is UCZAQAQKFBDAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H5NOS/c8-6-3-1-5(2-4-6)7(9)10;5-3-1-6-2-4-3/h1-4H,8H2,(H,9,10);1-2H2,(H,4,5).
What are the key properties of 4-aminobenzoic acid;1,3-thiazolidin-4-one?
4-aminobenzoic acid;1,3-thiazolidin-4-one has a molecular weight of 240.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;1,3-thiazolidin-4-one is sourced from PubChem (CID 161057728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).