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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Related Compounds

5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-1,3-thiazole
CID 112644966
5-[(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644972
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64858031
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
5-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644963
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644804
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502

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).