2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

C14H20N2O2S — CID 114279596

IUPAC2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCC3(CCCC3)C2)sc1C=O
InChIInChI=1S/C14H20N2O2S/c1-18-9-11-12(8-17)19-13(15-11)16-7-6-14(10-16)4-2-3-5-14/h8H,2-7,9-10H2,1H3
InChIKeyXXFABFGCPBCOQV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 114279596) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID114279596
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N2CCC3(CCCC3)C2)sc1C=O
InChIInChI=1S/C14H20N2O2S/c1-18-9-11-12(8-17)19-13(15-11)16-7-6-14(10-16)4-2-3-5-14/h8H,2-7,9-10H2,1H3
InChIKeyXXFABFGCPBCOQV-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde 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

2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508936
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509017
2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 107395732
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509104
2-(3,3-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509431
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508974
2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509029

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 114279596) is 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N2CCC3(CCCC3)C2)sc1C=O.
What is the InChIKey of 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XXFABFGCPBCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-9-11-12(8-17)19-13(15-11)16-7-6-14(10-16)4-2-3-5-14/h8H,2-7,9-10H2,1H3.
What are the key properties of 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonan-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 114279596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).