4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole

C17H23N3OS — CID 97399224

IUPAC4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC23CCN(Cc2ccoc2)CC3)cs1
InChIInChI=1S/C17H23N3OS/c1-14-18-16(13-22-14)11-20-8-5-17(20)3-6-19(7-4-17)10-15-2-9-21-12-15/h2,9,12-13H,3-8,10-11H2,1H3
InChIKeyRMSPQEDANORKEL-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.29
Rot. Bonds4

About 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 97399224) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID97399224
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC23CCN(Cc2ccoc2)CC3)cs1
InChIInChI=1S/C17H23N3OS/c1-14-18-16(13-22-14)11-20-8-5-17(20)3-6-19(7-4-17)10-15-2-9-21-12-15/h2,9,12-13H,3-8,10-11H2,1H3
InChIKeyRMSPQEDANORKEL-UHFFFAOYSA-N
XLogP3.29
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole (CID 97399224) is 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCC23CCN(Cc2ccoc2)CC3)cs1.
What is the InChIKey of 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is RMSPQEDANORKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-14-18-16(13-22-14)11-20-8-5-17(20)3-6-19(7-4-17)10-15-2-9-21-12-15/h2,9,12-13H,3-8,10-11H2,1H3.
What are the key properties of 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97399224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).