8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C18H25N3O3S — CID 72880597

IUPAC8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCCO2)C3)cs1
InChIInChI=1S/C18H25N3O3S/c1-13-19-15(11-25-13)17(23)20-6-4-18(5-7-20)9-16(22)21(12-18)10-14-3-2-8-24-14/h11,14H,2-10,12H2,1H3
InChIKeySFITYLHMCDKLTQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.09
Rot. Bonds3

About 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72880597) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72880597
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCCO2)C3)cs1
InChIInChI=1S/C18H25N3O3S/c1-13-19-15(11-25-13)17(23)20-6-4-18(5-7-20)9-16(22)21(12-18)10-14-3-2-8-24-14/h11,14H,2-10,12H2,1H3
InChIKeySFITYLHMCDKLTQ-UHFFFAOYSA-N
XLogP2.09
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72880597) is 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1nc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCCO2)C3)cs1.
What is the InChIKey of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SFITYLHMCDKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13-19-15(11-25-13)17(23)20-6-4-18(5-7-20)9-16(22)21(12-18)10-14-3-2-8-24-14/h11,14H,2-10,12H2,1H3.
What are the key properties of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 363.48 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72880597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).