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

C16H24N4O4S — CID 1398128

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C16H24N4O4S/c1-2-3-13-18-19-15(25-13)17-12(21)4-5-14(22)20-8-6-16(7-9-20)23-10-11-24-16/h2-11H2,1H3,(H,17,19,21)
InChIKeyAWTHHAMVWPRTND-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.57
Rot. Bonds6

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1398128) 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-propyl-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-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1398128
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-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C16H24N4O4S/c1-2-3-13-18-19-15(25-13)17-12(21)4-5-14(22)20-8-6-16(7-9-20)23-10-11-24-16/h2-11H2,1H3,(H,17,19,21)
InChIKeyAWTHHAMVWPRTND-UHFFFAOYSA-N
XLogP1.57
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.57
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)-4-oxo-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 1398128) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propyl-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-propyl-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-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(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-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is AWTHHAMVWPRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-2-3-13-18-19-15(25-13)17-12(21)4-5-14(22)20-8-6-16(7-9-20)23-10-11-24-16/h2-11H2,1H3,(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-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 368.46 g/mol, XLogP of 1.57, 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)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1398128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).