N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide

C16H26N4O3S — CID 124751247

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
SMILESCCc1nnc(NC(=O)CCN2CCC3(CC2)OCCC[C@H]3O)s1
InChIInChI=1S/C16H26N4O3S/c1-2-14-18-19-15(24-14)17-13(22)5-8-20-9-6-16(7-10-20)12(21)4-3-11-23-16/h12,21H,2-11H2,1H3,(H,17,19,22)/t12-/m1/s1
InChIKeyGBNSGUYPBOUARC-GFCCVEGCSA-N
MW354.48 g/mol
LogP1.43
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide (PubChem CID 124751247) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
PubChem CID124751247
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
SMILESCCc1nnc(NC(=O)CCN2CCC3(CC2)OCCC[C@H]3O)s1
InChIInChI=1S/C16H26N4O3S/c1-2-14-18-19-15(24-14)17-13(22)5-8-20-9-6-16(7-10-20)12(21)4-3-11-23-16/h12,21H,2-11H2,1H3,(H,17,19,22)/t12-/m1/s1
InChIKeyGBNSGUYPBOUARC-GFCCVEGCSA-N
XLogP1.43
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124954905
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124757749
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propanamide
CID 91833836
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
CID 4044677
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242019
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8918822

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide (CID 124751247) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide is CCc1nnc(NC(=O)CCN2CCC3(CC2)OCCC[C@H]3O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
The InChIKey is GBNSGUYPBOUARC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-2-14-18-19-15(24-14)17-13(22)5-8-20-9-6-16(7-10-20)12(21)4-3-11-23-16/h12,21H,2-11H2,1H3,(H,17,19,22)/t12-/m1/s1.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide has a molecular weight of 354.48 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide is sourced from PubChem (CID 124751247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).