1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C14H21N3OS — CID 118745116

IUPAC1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCCN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3OS/c1-2-17-13(18)4-6-14(17)5-3-8-16(11-14)10-12-15-7-9-19-12/h7,9H,2-6,8,10-11H2,1H3
InChIKeyWMRWRGBFOPDSRM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.12
Rot. Bonds3

About 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118745116) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118745116
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCCN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3OS/c1-2-17-13(18)4-6-14(17)5-3-8-16(11-14)10-12-15-7-9-19-12/h7,9H,2-6,8,10-11H2,1H3
InChIKeyWMRWRGBFOPDSRM-UHFFFAOYSA-N
XLogP2.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118745116) is 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CCN1C(=O)CCC12CCCN(Cc1nccs1)C2.
What is the InChIKey of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is WMRWRGBFOPDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-17-13(18)4-6-14(17)5-3-8-16(11-14)10-12-15-7-9-19-12/h7,9H,2-6,8,10-11H2,1H3.
What are the key properties of 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 279.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).