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

C19H28N4O4S — CID 1397869

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC2(CC1)OCCO2)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H28N4O4S/c24-15(20-18-22-21-17(28-18)14-4-2-1-3-5-14)6-7-16(25)23-10-8-19(9-11-23)26-12-13-27-19/h14H,1-13H2,(H,20,22,24)
InChIKeyDYKLYGKJIQUZFS-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.67
Rot. Bonds5

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide (PubChem CID 1397869) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide
PubChem CID1397869
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC2(CC1)OCCO2)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C19H28N4O4S/c24-15(20-18-22-21-17(28-18)14-4-2-1-3-5-14)6-7-16(25)23-10-8-19(9-11-23)26-12-13-27-19/h14H,1-13H2,(H,20,22,24)
InChIKeyDYKLYGKJIQUZFS-UHFFFAOYSA-N
XLogP2.67
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-N-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide
CID 1394518
4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-4-oxo-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1398128
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
CID 4237818
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-morpholin-4-yl-4-oxo-butyramide
CID 1399940
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
CID 1394618
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 945948
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanamide
CID 1401947
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
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanamide
CID 2025121
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-oxobutanamide
CID 2025122
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 5152029

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide (CID 1397869) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide is O=C(CCC(=O)N1CCC2(CC1)OCCO2)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide?
The InChIKey is DYKLYGKJIQUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c24-15(20-18-22-21-17(28-18)14-4-2-1-3-5-14)6-7-16(25)23-10-8-19(9-11-23)26-12-13-27-19/h14H,1-13H2,(H,20,22,24).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide has a molecular weight of 408.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanamide is sourced from PubChem (CID 1397869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).