2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N3OS2 — CID 131670157

IUPAC2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC=CCN1CCC2(CN(Cc3cccs3)CC2c2nccs2)C1=O
InChIInChI=1S/C18H21N3OS2/c1-2-7-21-8-5-18(17(21)22)13-20(11-14-4-3-9-23-14)12-15(18)16-19-6-10-24-16/h2-4,6,9-10,15H,1,5,7-8,11-13H2
InChIKeyFFPVXQTWAWSAQA-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.21
Rot. Bonds5

About 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131670157) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131670157
Molecular FormulaC18H21N3OS2
Molecular Weight359.52 g/mol
Exact Mass359.11
IUPAC Name2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESC=CCN1CCC2(CN(Cc3cccs3)CC2c2nccs2)C1=O
InChIInChI=1S/C18H21N3OS2/c1-2-7-21-8-5-18(17(21)22)13-20(11-14-4-3-9-23-14)12-15(18)16-19-6-10-24-16/h2-4,6,9-10,15H,1,5,7-8,11-13H2
InChIKeyFFPVXQTWAWSAQA-UHFFFAOYSA-N
XLogP3.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(5-methylthiophene-2-carbonyl)-2-prop-2-enyl-9-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672750
9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669867
(5S,9S)-2-ethyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471899
3-[[(5S,9S)-9-methyl-1-oxo-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile
CID 97471707
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155852093
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471715
(5S,9S)-7-[(4-methoxyphenyl)methyl]-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155839763
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
(5S,9S)-7-(cyclopent-3-ene-1-carbonyl)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471930
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131670157) is 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is C=CCN1CCC2(CN(Cc3cccs3)CC2c2nccs2)C1=O.
What is the InChIKey of 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FFPVXQTWAWSAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS2/c1-2-7-21-8-5-18(17(21)22)13-20(11-14-4-3-9-23-14)12-15(18)16-19-6-10-24-16/h2-4,6,9-10,15H,1,5,7-8,11-13H2.
What are the key properties of 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 359.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-9-(1,3-thiazol-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131670157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).