4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

C14H20N4O4S — CID 945948

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C14H20N4O4S/c1-10-16-17-13(23-10)15-11(19)2-3-12(20)18-6-4-14(5-7-18)21-8-9-22-14/h2-9H2,1H3,(H,15,17,19)
InChIKeyHTZLHVRPWHEGIE-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.93
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (PubChem CID 945948) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
PubChem CID945948
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C14H20N4O4S/c1-10-16-17-13(23-10)15-11(19)2-3-12(20)18-6-4-14(5-7-18)21-8-9-22-14/h2-9H2,1H3,(H,15,17,19)
InChIKeyHTZLHVRPWHEGIE-UHFFFAOYSA-N
XLogP0.93
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CID 945948) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is Cc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The InChIKey is HTZLHVRPWHEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-10-16-17-13(23-10)15-11(19)2-3-12(20)18-6-4-14(5-7-18)21-8-9-22-14/h2-9H2,1H3,(H,15,17,19).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has a molecular weight of 340.41 g/mol, XLogP of 0.93, 4 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)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 945948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).