4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C15H24N4OS — CID 97373304

IUPAC4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C15H24N4OS/c1-3-19-10-9-17(2)15(14(19)20)4-7-18(8-5-15)12-13-16-6-11-21-13/h6,11H,3-5,7-10,12H2,1-2H3
InChIKeyGYSBZSQSQFKOQE-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.27
Rot. Bonds3

About 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97373304) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97373304
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCN(C)C2(CCN(Cc3nccs3)CC2)C1=O
InChIInChI=1S/C15H24N4OS/c1-3-19-10-9-17(2)15(14(19)20)4-7-18(8-5-15)12-13-16-6-11-21-13/h6,11H,3-5,7-10,12H2,1-2H3
InChIKeyGYSBZSQSQFKOQE-UHFFFAOYSA-N
XLogP1.27
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97373304) is 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCN(C)C2(CCN(Cc3nccs3)CC2)C1=O.
What is the InChIKey of 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is GYSBZSQSQFKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-19-10-9-17(2)15(14(19)20)4-7-18(8-5-15)12-13-16-6-11-21-13/h6,11H,3-5,7-10,12H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 308.45 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97373304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).