N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide

C14H21N5O4S — CID 95707074

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCC[C@]3(C2)CN(C)C(=O)O3)s1
InChIInChI=1S/C14H21N5O4S/c1-18-8-14(23-13(18)21)4-3-5-19(9-14)6-10(20)15-12-17-16-11(24-12)7-22-2/h3-9H2,1-2H3,(H,15,17,20)/t14-/m1/s1
InChIKeyLLNGNLFVKGNUBY-CQSZACIVSA-N
MW355.42 g/mol
LogP0.54
Rot. Bonds5

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide (PubChem CID 95707074) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide
PubChem CID95707074
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCC[C@]3(C2)CN(C)C(=O)O3)s1
InChIInChI=1S/C14H21N5O4S/c1-18-8-14(23-13(18)21)4-3-5-19(9-14)6-10(20)15-12-17-16-11(24-12)7-22-2/h3-9H2,1-2H3,(H,15,17,20)/t14-/m1/s1
InChIKeyLLNGNLFVKGNUBY-CQSZACIVSA-N
XLogP0.54
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide 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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 91842233
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
2-[5,6-dimethyl-4-oxo-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-3-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 39112266
2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50949830
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91838398
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 124751005
3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
CID 124749555
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95120255
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95726725

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide (CID 95707074) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide is COCc1nnc(NC(=O)CN2CCC[C@]3(C2)CN(C)C(=O)O3)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide?
The InChIKey is LLNGNLFVKGNUBY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-18-8-14(23-13(18)21)4-3-5-19(9-14)6-10(20)15-12-17-16-11(24-12)7-22-2/h3-9H2,1-2H3,(H,15,17,20)/t14-/m1/s1.
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 95707074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).