5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione

C10H6ClN3O3S — CID 10469072

IUPAC5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(n2c(=S)oc3ccc(Cl)cc32)N1
InChIInChI=1S/C10H6ClN3O3S/c11-4-1-2-6-5(3-4)14(10(18)17-6)7-8(15)13-9(16)12-7/h1-3,7H,(H2,12,13,15,16)
InChIKeyRNUMKQSGQPMPGE-UHFFFAOYSA-N
MW283.70 g/mol
LogP1.96
Rot. Bonds1

About 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione

5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione (PubChem CID 10469072) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione
PubChem CID10469072
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(n2c(=S)oc3ccc(Cl)cc32)N1
InChIInChI=1S/C10H6ClN3O3S/c11-4-1-2-6-5(3-4)14(10(18)17-6)7-8(15)13-9(16)12-7/h1-3,7H,(H2,12,13,15,16)
InChIKeyRNUMKQSGQPMPGE-UHFFFAOYSA-N
XLogP1.96
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione (CID 10469072) is 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(n2c(=S)oc3ccc(Cl)cc32)N1.
What is the InChIKey of 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione?
The InChIKey is RNUMKQSGQPMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-4-1-2-6-5(3-4)14(10(18)17-6)7-8(15)13-9(16)12-7/h1-3,7H,(H2,12,13,15,16).
What are the key properties of 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione?
5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione has a molecular weight of 283.70 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 10469072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).