(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

C14H17ClN4O4S — CID 38907605

IUPAC(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)OCc1nnsc1Cl
InChIInChI=1S/C14H17ClN4O4S/c15-11-9(17-18-24-11)8-23-10(20)4-7-19-12(21)14(16-13(19)22)5-2-1-3-6-14/h1-8H2,(H,16,22)
InChIKeyQCZPDARWYWKRBD-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.88
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (PubChem CID 38907605) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
PubChem CID38907605
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)OCc1nnsc1Cl
InChIInChI=1S/C14H17ClN4O4S/c15-11-9(17-18-24-11)8-23-10(20)4-7-19-12(21)14(16-13(19)22)5-2-1-3-6-14/h1-8H2,(H,16,22)
InChIKeyQCZPDARWYWKRBD-UHFFFAOYSA-N
XLogP1.88
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5-chlorothiadiazol-4-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 30975873
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671608
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671671
[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 55444300
[4-(2-cyanophenyl)phenyl]methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 31146910
(5-chlorothiadiazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 55419183
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
hydrazinyl 3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 106528282
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (CID 38907605) is (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)OCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The InChIKey is QCZPDARWYWKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4S/c15-11-9(17-18-24-11)8-23-10(20)4-7-19-12(21)14(16-13(19)22)5-2-1-3-6-14/h1-8H2,(H,16,22).
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate has a molecular weight of 372.83 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is sourced from PubChem (CID 38907605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).