5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole

C14H23N3S — CID 112644966

IUPAC5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
SMILESc1ncc(CN2CCCNC3(CCCCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-5-14(6-3-1)11-17(8-4-7-16-14)10-13-9-15-12-18-13/h9,12,16H,1-8,10-11H2
InChIKeyRFSMOJZNWAXZOM-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.64
Rot. Bonds2

About 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole

5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole (PubChem CID 112644966) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
PubChem CID112644966
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
SMILESc1ncc(CN2CCCNC3(CCCCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-5-14(6-3-1)11-17(8-4-7-16-14)10-13-9-15-12-18-13/h9,12,16H,1-8,10-11H2
InChIKeyRFSMOJZNWAXZOM-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole (CID 112644966) is 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole is c1ncc(CN2CCCNC3(CCCCC3)C2)s1.
What is the InChIKey of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole?
The InChIKey is RFSMOJZNWAXZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-5-14(6-3-1)11-17(8-4-7-16-14)10-13-9-15-12-18-13/h9,12,16H,1-8,10-11H2.
What are the key properties of 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole?
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 112644966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).