4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole

C20H28N4OS — CID 131677507

IUPAC4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CC3(CC(COCc4ccncc4)CCN3C)C2)n1
InChIInChI=1S/C20H28N4OS/c1-16-13-26-19(22-16)10-24-14-20(15-24)9-18(5-8-23(20)2)12-25-11-17-3-6-21-7-4-17/h3-4,6-7,13,18H,5,8-12,14-15H2,1-2H3
InChIKeyMNAKTBCVZWSDFY-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.96
Rot. Bonds6

About 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole

4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole (PubChem CID 131677507) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole
PubChem CID131677507
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CC3(CC(COCc4ccncc4)CCN3C)C2)n1
InChIInChI=1S/C20H28N4OS/c1-16-13-26-19(22-16)10-24-14-20(15-24)9-18(5-8-23(20)2)12-25-11-17-3-6-21-7-4-17/h3-4,6-7,13,18H,5,8-12,14-15H2,1-2H3
InChIKeyMNAKTBCVZWSDFY-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole (CID 131677507) is 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole is Cc1csc(CN2CC3(CC(COCc4ccncc4)CCN3C)C2)n1.
What is the InChIKey of 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole?
The InChIKey is MNAKTBCVZWSDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-16-13-26-19(22-16)10-24-14-20(15-24)9-18(5-8-23(20)2)12-25-11-17-3-6-21-7-4-17/h3-4,6-7,13,18H,5,8-12,14-15H2,1-2H3.
What are the key properties of 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole?
4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole has a molecular weight of 372.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[5-methyl-8-(pyridin-4-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131677507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).