8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C18H23N3O2S — CID 97493854

IUPAC8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(Cc2ccoc2)CC3)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h3,9,12-13H,2,4-8,10-11H2,1H3
InChIKeyLOPSCSIIXNVLHQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.20
Rot. Bonds4

About 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493854) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493854
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(Cc2ccoc2)CC3)cs1
InChIInChI=1S/C18H23N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h3,9,12-13H,2,4-8,10-11H2,1H3
InChIKeyLOPSCSIIXNVLHQ-UHFFFAOYSA-N
XLogP3.20
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97493854) is 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)CCC23CCN(Cc2ccoc2)CC3)cs1.
What is the InChIKey of 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LOPSCSIIXNVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h3,9,12-13H,2,4-8,10-11H2,1H3.
What are the key properties of 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 345.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).