2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C15H21N3O2S — CID 70717540

IUPAC2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)CC1=O
InChIInChI=1S/C15H21N3O2S/c1-3-17-10-15(8-13(17)19)4-6-18(7-5-15)14(20)12-9-16-11(2)21-12/h9H,3-8,10H2,1-2H3
InChIKeyVWTNUPKVCFBKNQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.93
Rot. Bonds2

About 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70717540) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70717540
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)CC1=O
InChIInChI=1S/C15H21N3O2S/c1-3-17-10-15(8-13(17)19)4-6-18(7-5-15)14(20)12-9-16-11(2)21-12/h9H,3-8,10H2,1-2H3
InChIKeyVWTNUPKVCFBKNQ-UHFFFAOYSA-N
XLogP1.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70717540) is 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)c3cnc(C)s3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VWTNUPKVCFBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-17-10-15(8-13(17)19)4-6-18(7-5-15)14(20)12-9-16-11(2)21-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 307.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70717540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).