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

C19H23N3OS — CID 97372697

IUPAC1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1
InChIInChI=1S/C19H23N3OS/c23-18-6-7-19(22(18)14-16-4-2-1-3-5-16)8-11-21(12-9-19)15-17-20-10-13-24-17/h1-5,10,13H,6-9,11-12,14-15H2
InChIKeyKOWWOVBMLNQQND-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.30
Rot. Bonds4

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

1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97372697) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97372697
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1
InChIInChI=1S/C19H23N3OS/c23-18-6-7-19(22(18)14-16-4-2-1-3-5-16)8-11-21(12-9-19)15-17-20-10-13-24-17/h1-5,10,13H,6-9,11-12,14-15H2
InChIKeyKOWWOVBMLNQQND-UHFFFAOYSA-N
XLogP3.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196759
(3-Fluorophenyl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234271
[3,5-bis(trifluoromethyl)phenyl]-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234273
(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234541
(3-Fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3235038
N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3-piperidinecarboxamide
CID 24790243
Sdccgsbi-0117378.P001
CID 24790836
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466
N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 42460383
(4-Methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
CID 44535165
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one chloride
CID 145960334
N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 14426410

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97372697) is 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(Cc3nccs3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KOWWOVBMLNQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18-6-7-19(22(18)14-16-4-2-1-3-5-16)8-11-21(12-9-19)15-17-20-10-13-24-17/h1-5,10,13H,6-9,11-12,14-15H2.
What are the key properties of 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97372697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).