2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid

C13H10ClN3O4S — CID 10545073

IUPAC2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(Cc2nc3cc(Cl)ccc3s2)C1=O
InChIInChI=1S/C13H10ClN3O4S/c14-7-1-2-9-8(3-7)15-10(22-9)4-17-11(18)5-16(13(17)21)6-12(19)20/h1-3H,4-6H2,(H,19,20)
InChIKeyPGDXJCJQADDROZ-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.80
Rot. Bonds4

About 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid

2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 10545073) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid
PubChem CID10545073
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC Name2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(Cc2nc3cc(Cl)ccc3s2)C1=O
InChIInChI=1S/C13H10ClN3O4S/c14-7-1-2-9-8(3-7)15-10(22-9)4-17-11(18)5-16(13(17)21)6-12(19)20/h1-3H,4-6H2,(H,19,20)
InChIKeyPGDXJCJQADDROZ-UHFFFAOYSA-N
XLogP1.80
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid (CID 10545073) is 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CC(=O)N(Cc2nc3cc(Cl)ccc3s2)C1=O.
What is the InChIKey of 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is PGDXJCJQADDROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c14-7-1-2-9-8(3-7)15-10(22-9)4-17-11(18)5-16(13(17)21)6-12(19)20/h1-3H,4-6H2,(H,19,20).
What are the key properties of 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid?
2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 339.76 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 10545073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).