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

C13H21N3S — CID 3233525

IUPAC2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCCC3(CCNCC3)C2)n1
InChIInChI=1S/C13H21N3S/c1-2-13(3-5-14-6-4-13)11-16(8-1)10-12-15-7-9-17-12/h7,9,14H,1-6,8,10-11H2
InChIKeyYFAXXUQQUXYGEV-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.11
Rot. Bonds2

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

2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole (PubChem CID 3233525) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole
PubChem CID3233525
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole
SMILESc1csc(CN2CCCC3(CCNCC3)C2)n1
InChIInChI=1S/C13H21N3S/c1-2-13(3-5-14-6-4-13)11-16(8-1)10-12-15-7-9-17-12/h7,9,14H,1-6,8,10-11H2
InChIKeyYFAXXUQQUXYGEV-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

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Related Compounds

4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3234888
2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
3-(2-Thiazolyl)piperidine
CID 24261802
2-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
CID 3234760
1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
2-(Piperidin-4-ylmethyl)thiazole
CID 24262107
3-((1,3-Thiazol-2-yl)methyl)piperidine
CID 24262127
2-(2,7-Diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
CID 3234046
2-[[9-(Cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370618
2-(4-Fluoropiperidin-4-yl)-1,3-thiazole
CID 145536281
2-[3-(1,3-Thiazol-2-yl)piperidin-1-yl]ethanamine
CID 121669495

Frequently Asked Questions

What is the IUPAC name of 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole (CID 3233525) is 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole is c1csc(CN2CCCC3(CCNCC3)C2)n1.
What is the InChIKey of 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole?
The InChIKey is YFAXXUQQUXYGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-13(3-5-14-6-4-13)11-16(8-1)10-12-15-7-9-17-12/h7,9,14H,1-6,8,10-11H2.
What are the key properties of 2-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole?
2-(2,9-diazaspiro[5.5]undecan-2-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-(2,9-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 3233525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).