2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

C18H30N4O2S — CID 70765643

IUPAC2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)s1
InChIInChI=1S/C18H30N4O2S/c1-3-5-15-19-20-17(25-15)21-11-8-18(9-12-21)7-6-16(23)22(14-18)10-4-13-24-2/h3-14H2,1-2H3
InChIKeyLWVLGEQMYNLTAG-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.74
Rot. Bonds7

About 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765643) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765643
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)s1
InChIInChI=1S/C18H30N4O2S/c1-3-5-15-19-20-17(25-15)21-11-8-18(9-12-21)7-6-16(23)22(14-18)10-4-13-24-2/h3-14H2,1-2H3
InChIKeyLWVLGEQMYNLTAG-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721194
2-[[(2S)-oxolan-2-yl]methyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97130999
2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773216
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
CID 133480844
2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70744940
2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
CID 70727411
9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713982
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
(6S)-2-(3-methoxypropyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95862033
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832
2-(3-methoxypropyl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749883

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70765643) is 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nnc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)s1.
What is the InChIKey of 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LWVLGEQMYNLTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-5-15-19-20-17(25-15)21-11-8-18(9-12-21)7-6-16(23)22(14-18)10-4-13-24-2/h3-14H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).