5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole

C13H21N3S — CID 112644971

IUPAC5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole
SMILESc1ncc(CN2CCCNC3(CCCC3)C2)s1
InChIInChI=1S/C13H21N3S/c1-2-5-13(4-1)10-16(7-3-6-15-13)9-12-8-14-11-17-12/h8,11,15H,1-7,9-10H2
InChIKeyQZOSYCQMRCVXHD-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.25
Rot. Bonds2

About 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole

5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole (PubChem CID 112644971) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole
PubChem CID112644971
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole
SMILESc1ncc(CN2CCCNC3(CCCC3)C2)s1
InChIInChI=1S/C13H21N3S/c1-2-5-13(4-1)10-16(7-3-6-15-13)9-12-8-14-11-17-12/h8,11,15H,1-7,9-10H2
InChIKeyQZOSYCQMRCVXHD-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole (CID 112644971) is 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole is c1ncc(CN2CCCNC3(CCCC3)C2)s1.
What is the InChIKey of 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole?
The InChIKey is QZOSYCQMRCVXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-5-13(4-1)10-16(7-3-6-15-13)9-12-8-14-11-17-12/h8,11,15H,1-7,9-10H2.
What are the key properties of 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole?
5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 112644971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).