2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C17H18N4O3S — CID 8840374

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)nc12
InChIInChI=1S/C17H18N4O3S/c1-10-5-4-6-11-13(10)19-15(25-11)18-12(22)9-21-14(23)17(20-16(21)24)7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,20,24)(H,18,19,22)
InChIKeyHNHYRXOTLQXGHY-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.41
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8840374) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID8840374
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)nc12
InChIInChI=1S/C17H18N4O3S/c1-10-5-4-6-11-13(10)19-15(25-11)18-12(22)9-21-14(23)17(20-16(21)24)7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,20,24)(H,18,19,22)
InChIKeyHNHYRXOTLQXGHY-UHFFFAOYSA-N
XLogP2.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 8840374) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)nc12.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HNHYRXOTLQXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-5-4-6-11-13(10)19-15(25-11)18-12(22)9-21-14(23)17(20-16(21)24)7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,20,24)(H,18,19,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8840374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).