4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole

C14H23N3S — CID 120907391

IUPAC4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H23N3S/c1-2-13-16-12(10-18-13)9-17-8-5-14(11-17)3-6-15-7-4-14/h10,15H,2-9,11H2,1H3
InChIKeyAODHZWBRSSCOSC-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.28
Rot. Bonds3

About 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole

4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole (PubChem CID 120907391) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
PubChem CID120907391
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H23N3S/c1-2-13-16-12(10-18-13)9-17-8-5-14(11-17)3-6-15-7-4-14/h10,15H,2-9,11H2,1H3
InChIKeyAODHZWBRSSCOSC-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 154758210
4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
CID 120907679
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120645379
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119864358
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708193
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-4-(2,5-dichlorophenyl)-1,3-thiazole;hydrochloride
CID 120907328

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole (CID 120907391) is 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole is CCc1nc(CN2CCC3(CCNCC3)C2)cs1.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The InChIKey is AODHZWBRSSCOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-13-16-12(10-18-13)9-17-8-5-14(11-17)3-6-15-7-4-14/h10,15H,2-9,11H2,1H3.
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 120907391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).