2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone

C20H22ClN3O2S — CID 134073855

IUPAC2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2C(=O)c2cscn2)C1
InChIInChI=1S/C20H22ClN3O2S/c21-16-5-3-15(4-6-16)11-18(25)23-9-1-7-20(13-23)8-2-10-24(20)19(26)17-12-27-14-22-17/h3-6,12,14H,1-2,7-11,13H2
InChIKeyBRYGEOYLMZSSJW-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone

2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone (PubChem CID 134073855) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
PubChem CID134073855
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2C(=O)c2cscn2)C1
InChIInChI=1S/C20H22ClN3O2S/c21-16-5-3-15(4-6-16)11-18(25)23-9-1-7-20(13-23)8-2-10-24(20)19(26)17-12-27-14-22-17/h3-6,12,14H,1-2,7-11,13H2
InChIKeyBRYGEOYLMZSSJW-UHFFFAOYSA-N
XLogP3.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[(1R,5R)-6-(1,3-thiazole-4-carbonyl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]ethanone
CID 97409762
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97393075
2-(4-methoxyphenyl)-1-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344006
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 52950036
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
3-phenyl-1-[(5R)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 97393128
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734675

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone (CID 134073855) is 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2C(=O)c2cscn2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is BRYGEOYLMZSSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c21-16-5-3-15(4-6-16)11-18(25)23-9-1-7-20(13-23)8-2-10-24(20)19(26)17-12-27-14-22-17/h3-6,12,14H,1-2,7-11,13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone?
2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 403.94 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 134073855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).