4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole

C15H25N3S — CID 102849371

IUPAC4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)N2CCCC3(CCCNC3)C2)cs1
InChIInChI=1S/C15H25N3S/c1-12(14-9-19-13(2)17-14)18-8-4-6-15(11-18)5-3-7-16-10-15/h9,12,16H,3-8,10-11H2,1-2H3
InChIKeyBHZFJRVOXBXWGB-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.98
Rot. Bonds2

About 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole

4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 102849371) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID102849371
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)N2CCCC3(CCCNC3)C2)cs1
InChIInChI=1S/C15H25N3S/c1-12(14-9-19-13(2)17-14)18-8-4-6-15(11-18)5-3-7-16-10-15/h9,12,16H,3-8,10-11H2,1-2H3
InChIKeyBHZFJRVOXBXWGB-UHFFFAOYSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole 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-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
CID 130703054
2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849368
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849380
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
5-[1-(2,7-diazaspiro[4.4]nonan-2-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 135301811
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 102850533
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole (CID 102849371) is 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(C(C)N2CCCC3(CCCNC3)C2)cs1.
What is the InChIKey of 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is BHZFJRVOXBXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12(14-9-19-13(2)17-14)18-8-4-6-15(11-18)5-3-7-16-10-15/h9,12,16H,3-8,10-11H2,1-2H3.
What are the key properties of 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole?
4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 102849371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).