2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole

C13H21N3S — CID 3234760

IUPAC2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C13H21N3S/c1-5-14-6-2-13(1)3-8-16(9-4-13)11-12-15-7-10-17-12/h7,10,14H,1-6,8-9,11H2
InChIKeyQULWOLRVNPEZBR-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.11
Rot. Bonds2

About 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole

2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole (PubChem CID 3234760) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
PubChem CID3234760
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C13H21N3S/c1-5-14-6-2-13(1)3-8-16(9-4-13)11-12-15-7-10-17-12/h7,10,14H,1-6,8-9,11H2
InChIKeyQULWOLRVNPEZBR-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole (CID 3234760) is 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole is c1csc(CN2CCC3(CCNCC3)CC2)n1.
What is the InChIKey of 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole?
The InChIKey is QULWOLRVNPEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-5-14-6-2-13(1)3-8-16(9-4-13)11-12-15-7-10-17-12/h7,10,14H,1-6,8-9,11H2.
What are the key properties of 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole?
2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 3234760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).