4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H21N3OS — CID 118742476

IUPAC4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccccc2)C2(CCN(Cc3nccs3)CC2)N1
InChIInChI=1S/C18H21N3OS/c22-16-12-15(14-4-2-1-3-5-14)18(20-16)6-9-21(10-7-18)13-17-19-8-11-23-17/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22)
InChIKeySXRXVYAYAGPROT-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.78
Rot. Bonds3

About 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118742476) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118742476
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccccc2)C2(CCN(Cc3nccs3)CC2)N1
InChIInChI=1S/C18H21N3OS/c22-16-12-15(14-4-2-1-3-5-14)18(20-16)6-9-21(10-7-18)13-17-19-8-11-23-17/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22)
InChIKeySXRXVYAYAGPROT-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118742476) is 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccccc2)C2(CCN(Cc3nccs3)CC2)N1.
What is the InChIKey of 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SXRXVYAYAGPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-16-12-15(14-4-2-1-3-5-14)18(20-16)6-9-21(10-7-18)13-17-19-8-11-23-17/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22).
What are the key properties of 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 327.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).