[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

C21H27N3OS — CID 42341584

IUPAC[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C21H27N3OS/c25-20(19-14-26-17-22-19)24-13-10-21(16-24)9-5-12-23(15-21)11-4-8-18-6-2-1-3-7-18/h1-3,6-7,14,17H,4-5,8-13,15-16H2/t21-/m0/s1
InChIKeyWHAJIXQCXXIADX-NRFANRHFSA-N
MW369.53 g/mol
LogP3.70
Rot. Bonds5

About [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 42341584) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID42341584
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C21H27N3OS/c25-20(19-14-26-17-22-19)24-13-10-21(16-24)9-5-12-23(15-21)11-4-8-18-6-2-1-3-7-18/h1-3,6-7,14,17H,4-5,8-13,15-16H2/t21-/m0/s1
InChIKeyWHAJIXQCXXIADX-NRFANRHFSA-N
XLogP3.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

3-phenyl-1-[(5R)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 97393128
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131661553
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
[(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 25298423
1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
CID 45210811

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 42341584) is [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is WHAJIXQCXXIADX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27N3OS/c25-20(19-14-26-17-22-19)24-13-10-21(16-24)9-5-12-23(15-21)11-4-8-18-6-2-1-3-7-18/h1-3,6-7,14,17H,4-5,8-13,15-16H2/t21-/m0/s1.
What are the key properties of [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 369.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 42341584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).