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

C17H26N4O4S — CID 1394518

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C17H26N4O4S/c1-12(2)11-14-19-20-16(26-14)18-13(22)3-4-15(23)21-7-5-17(6-8-21)24-9-10-25-17/h12H,3-11H2,1-2H3,(H,18,20,22)
InChIKeyFVAKJIOOMARQBZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.82
Rot. Bonds6

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (PubChem CID 1394518) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
PubChem CID1394518
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C17H26N4O4S/c1-12(2)11-14-19-20-16(26-14)18-13(22)3-4-15(23)21-7-5-17(6-8-21)24-9-10-25-17/h12H,3-11H2,1-2H3,(H,18,20,22)
InChIKeyFVAKJIOOMARQBZ-UHFFFAOYSA-N
XLogP1.82
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.82
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-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (CID 1394518) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is CC(C)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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The InChIKey is FVAKJIOOMARQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12(2)11-14-19-20-16(26-14)18-13(22)3-4-15(23)21-7-5-17(6-8-21)24-9-10-25-17/h12H,3-11H2,1-2H3,(H,18,20,22).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide has a molecular weight of 382.49 g/mol, XLogP of 1.82, 6 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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 1394518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).