8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C13H21N3O2S — CID 131638284

IUPAC8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOCC3(CNCCO3)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-11-15-12(7-19-11)6-16-3-5-17-10-13(9-16)8-14-2-4-18-13/h7,14H,2-6,8-10H2,1H3
InChIKeySWOOGQXWCSXYCU-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.64
Rot. Bonds2

About 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 131638284) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID131638284
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1nc(CN2CCOCC3(CNCCO3)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-11-15-12(7-19-11)6-16-3-5-17-10-13(9-16)8-14-2-4-18-13/h7,14H,2-6,8-10H2,1H3
InChIKeySWOOGQXWCSXYCU-UHFFFAOYSA-N
XLogP0.64
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane 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

1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CID 97511439
6-({4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)-1,4-oxazepan-6-ol
CID 70719857
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine
CID 95613045

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 131638284) is 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1nc(CN2CCOCC3(CNCCO3)C2)cs1.
What is the InChIKey of 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is SWOOGQXWCSXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-15-12(7-19-11)6-16-3-5-17-10-13(9-16)8-14-2-4-18-13/h7,14H,2-6,8-10H2,1H3.
What are the key properties of 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 283.40 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131638284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).