2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

C12H19N3S — CID 3234888

IUPAC2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CC[C@@]3(CCCNC3)C2)n1
InChIInChI=1S/C12H19N3S/c1-2-12(9-13-4-1)3-6-15(10-12)8-11-14-5-7-16-11/h5,7,13H,1-4,6,8-10H2/t12-/m1/s1
InChIKeyXNDYRXNLBVXNJN-GFCCVEGCSA-N
MW237.37 g/mol
LogP1.72
Rot. Bonds2

About 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (PubChem CID 3234888) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
PubChem CID3234888
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CC[C@@]3(CCCNC3)C2)n1
InChIInChI=1S/C12H19N3S/c1-2-12(9-13-4-1)3-6-15(10-12)8-11-14-5-7-16-11/h5,7,13H,1-4,6,8-10H2/t12-/m1/s1
InChIKeyXNDYRXNLBVXNJN-GFCCVEGCSA-N
XLogP1.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (CID 3234888) is 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is c1csc(CN2CC[C@@]3(CCCNC3)C2)n1.
What is the InChIKey of 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The InChIKey is XNDYRXNLBVXNJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-12(9-13-4-1)3-6-15(10-12)8-11-14-5-7-16-11/h5,7,13H,1-4,6,8-10H2/t12-/m1/s1.
What are the key properties of 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3234888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).