2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

C22H24ClN3O4S — CID 130449658

IUPAC2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c(C(O)CN2CCC3(CC2)CCN(c2sncc2Cl)C3=O)ccc2c1COC2=O
InChIInChI=1S/C22H24ClN3O4S/c1-13-14(2-3-15-16(13)12-30-20(15)28)18(27)11-25-7-4-22(5-8-25)6-9-26(21(22)29)19-17(23)10-24-31-19/h2-3,10,18,27H,4-9,11-12H2,1H3
InChIKeyYOWSJEFTYPIJNP-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 130449658) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID130449658
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c(C(O)CN2CCC3(CC2)CCN(c2sncc2Cl)C3=O)ccc2c1COC2=O
InChIInChI=1S/C22H24ClN3O4S/c1-13-14(2-3-15-16(13)12-30-20(15)28)18(27)11-25-7-4-22(5-8-25)6-9-26(21(22)29)19-17(23)10-24-31-19/h2-3,10,18,27H,4-9,11-12H2,1H3
InChIKeyYOWSJEFTYPIJNP-UHFFFAOYSA-N
XLogP3.33
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-(2,1-benzothiazol-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 121291784
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 121483481
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122452761
8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(3-phenyl-1,2-thiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 130449832
8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 130449713
2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 121314018
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 72950078
8-[(2S)-2-(4-chloro-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122657873
8-[2-hydroxy-2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 123428565
5-[2-(azetidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 154464322
9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 134166639
5-[(1R)-2-[3-(4-chloro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 91810845

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 130449658) is 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1c(C(O)CN2CCC3(CC2)CCN(c2sncc2Cl)C3=O)ccc2c1COC2=O.
What is the InChIKey of 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YOWSJEFTYPIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-13-14(2-3-15-16(13)12-30-20(15)28)18(27)11-25-7-4-22(5-8-25)6-9-26(21(22)29)19-17(23)10-24-31-19/h2-3,10,18,27H,4-9,11-12H2,1H3.
What are the key properties of 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 461.97 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,2-thiazol-5-yl)-8-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 130449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).