5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide

C20H18N4O3S2 — CID 33255383

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C20H18N4O3S2/c25-16(23-24-18(26)20(22-19(24)27)10-4-1-5-11-20)14-8-9-15(28-14)17-21-12-6-2-3-7-13(12)29-17/h2-3,6-9H,1,4-5,10-11H2,(H,22,27)(H,23,25)
InChIKeyFXFZNZIFWPDDRI-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.92
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide (PubChem CID 33255383) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide
PubChem CID33255383
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C20H18N4O3S2/c25-16(23-24-18(26)20(22-19(24)27)10-4-1-5-11-20)14-8-9-15(28-14)17-21-12-6-2-3-7-13(12)29-17/h2-3,6-9H,1,4-5,10-11H2,(H,22,27)(H,23,25)
InChIKeyFXFZNZIFWPDDRI-UHFFFAOYSA-N
XLogP3.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide (CID 33255383) is 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide?
The InChIKey is FXFZNZIFWPDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c25-16(23-24-18(26)20(22-19(24)27)10-4-1-5-11-20)14-8-9-15(28-14)17-21-12-6-2-3-7-13(12)29-17/h2-3,6-9H,1,4-5,10-11H2,(H,22,27)(H,23,25).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 33255383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).