[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C22H37N3O3S — CID 46240299

IUPAC[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC3(CCN(CCCCCCCCCO)CC3)C2)cs1
InChIInChI=1S/C22H37N3O3S/c1-19-23-20(17-29-19)21(27)25-14-16-28-22(18-25)9-12-24(13-10-22)11-7-5-3-2-4-6-8-15-26/h17,26H,2-16,18H2,1H3
InChIKeyVMGTZBPDUFMEMV-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.48
Rot. Bonds10

About [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 46240299) has the molecular formula C22H37N3O3S and a molecular weight of 423.62 g/mol. Its IUPAC name is [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID46240299
Molecular FormulaC22H37N3O3S
Molecular Weight423.62 g/mol
Exact Mass423.26
IUPAC Name[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC3(CCN(CCCCCCCCCO)CC3)C2)cs1
InChIInChI=1S/C22H37N3O3S/c1-19-23-20(17-29-19)21(27)25-14-16-28-22(18-25)9-12-24(13-10-22)11-7-5-3-2-4-6-8-15-26/h17,26H,2-16,18H2,1H3
InChIKeyVMGTZBPDUFMEMV-UHFFFAOYSA-N
XLogP3.48
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-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

{(3R*,5R*)-5-(morpholin-4-ylmethyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}methanol
CID 72894631
3-{(3R*,4S*)-4-(4-methylpiperazin-1-yl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}propan-1-ol
CID 72843226
(3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72861374
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72868948
2-(Cyclohexylmethyl)-4-{[2-(methylthio)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 45243945
(4aS*,8aS*)-2-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)octahydroisoquinolin-4a(2H)-ol
CID 56879188
9-({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72917101
10-(4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)decan-2-one
CID 57988913
(9-(9-Hydroxydecyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone
CID 57988918
9-(4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2-dimethylnonanal
CID 57989030
[9-[3-(4-Hydroxybutylsulfanyl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 57989042
7-(4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2-dimethylheptanal
CID 57989053

Frequently Asked Questions

What is the IUPAC name of [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 46240299) is [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCOC3(CCN(CCCCCCCCCO)CC3)C2)cs1.
What is the InChIKey of [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is VMGTZBPDUFMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3S/c1-19-23-20(17-29-19)21(27)25-14-16-28-22(18-25)9-12-24(13-10-22)11-7-5-3-2-4-6-8-15-26/h17,26H,2-16,18H2,1H3.
What are the key properties of [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 423.62 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(9-hydroxynonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46240299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).