4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole

C14H23N3S — CID 64945713

IUPAC4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CC3(CCCC3)NCC2C)n1
InChIInChI=1S/C14H23N3S/c1-11-9-18-13(16-11)8-17-10-14(5-3-4-6-14)15-7-12(17)2/h9,12,15H,3-8,10H2,1-2H3
InChIKeyHETZLANBSSCWRL-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.56
Rot. Bonds2

About 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole

4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (PubChem CID 64945713) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
PubChem CID64945713
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CC3(CCCC3)NCC2C)n1
InChIInChI=1S/C14H23N3S/c1-11-9-18-13(16-11)8-17-10-14(5-3-4-6-14)15-7-12(17)2/h9,12,15H,3-8,10H2,1-2H3
InChIKeyHETZLANBSSCWRL-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (CID 64945713) is 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole is Cc1csc(CN2CC3(CCCC3)NCC2C)n1.
What is the InChIKey of 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The InChIKey is HETZLANBSSCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-9-18-13(16-11)8-17-10-14(5-3-4-6-14)15-7-12(17)2/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64945713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).