9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H15N3O3S2 — CID 56882838

IUPAC9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3csc(-c4cccs4)n3)C2)O1
InChIInChI=1S/C15H15N3O3S2/c19-13(10-7-23-12(17-10)11-3-1-6-22-11)18-5-2-4-15(9-18)8-16-14(20)21-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,20)
InChIKeyXKKUXEFDCVSMQS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.59
Rot. Bonds2

About 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56882838) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56882838
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3csc(-c4cccs4)n3)C2)O1
InChIInChI=1S/C15H15N3O3S2/c19-13(10-7-23-12(17-10)11-3-1-6-22-11)18-5-2-4-15(9-18)8-16-14(20)21-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,20)
InChIKeyXKKUXEFDCVSMQS-UHFFFAOYSA-N
XLogP2.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56882838) is 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCN(C(=O)c3csc(-c4cccs4)n3)C2)O1.
What is the InChIKey of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XKKUXEFDCVSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c19-13(10-7-23-12(17-10)11-3-1-6-22-11)18-5-2-4-15(9-18)8-16-14(20)21-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,20).
What are the key properties of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56882838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).