cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C17H26N4O2S — CID 131905481

IUPACcyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCc1nnc(CN2CCC3(CC2)CN(C(=O)C2CCC2)CCO3)s1
InChIInChI=1S/C17H26N4O2S/c1-13-18-19-15(24-13)11-20-7-5-17(6-8-20)12-21(9-10-23-17)16(22)14-3-2-4-14/h14H,2-12H2,1H3
InChIKeyPTKYXSLHOAPDLM-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.84
Rot. Bonds3

About cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131905481) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131905481
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Namecyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCc1nnc(CN2CCC3(CC2)CN(C(=O)C2CCC2)CCO3)s1
InChIInChI=1S/C17H26N4O2S/c1-13-18-19-15(24-13)11-20-7-5-17(6-8-20)12-21(9-10-23-17)16(22)14-3-2-4-14/h14H,2-12H2,1H3
InChIKeyPTKYXSLHOAPDLM-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone 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

(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131908824
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
N-[[(4R)-4-hydroxy-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
CID 95710139
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134889
formic acid;(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 154913194
9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56872805
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232339
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232340
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131905481) is cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is Cc1nnc(CN2CCC3(CC2)CN(C(=O)C2CCC2)CCO3)s1.
What is the InChIKey of cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is PTKYXSLHOAPDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-13-18-19-15(24-13)11-20-7-5-17(6-8-20)12-21(9-10-23-17)16(22)14-3-2-4-14/h14H,2-12H2,1H3.
What are the key properties of cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 350.49 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131905481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).