4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C16H24N4O4S — CID 2004187

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C16H24N4O4S/c1-11(2)14-18-19-15(25-14)17-12(21)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyIFIWFIVCYZATTL-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.75
Rot. Bonds5

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 2004187) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID2004187
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C16H24N4O4S/c1-11(2)14-18-19-15(25-14)17-12(21)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyIFIWFIVCYZATTL-UHFFFAOYSA-N
XLogP1.75
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide 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 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 2004187) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)c1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is IFIWFIVCYZATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11(2)14-18-19-15(25-14)17-12(21)3-4-13(22)20-7-5-16(6-8-20)23-9-10-24-16/h11H,3-10H2,1-2H3,(H,17,19,21).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 368.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 2004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).