8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one

C15H19N3O2S — CID 77109646

IUPAC8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C=CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1
InChIInChI=1S/C15H19N3O2S/c1-11-17-12(9-21-11)2-3-14(20)18-6-4-15(5-7-18)8-13(19)16-10-15/h2-3,9H,4-8,10H2,1H3,(H,16,19)
InChIKeyZYRHYVBYBMWIRZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.59
Rot. Bonds2

About 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 77109646) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID77109646
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C=CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1
InChIInChI=1S/C15H19N3O2S/c1-11-17-12(9-21-11)2-3-14(20)18-6-4-15(5-7-18)8-13(19)16-10-15/h2-3,9H,4-8,10H2,1H3,(H,16,19)
InChIKeyZYRHYVBYBMWIRZ-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-methyl-1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 47072607
3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide
CID 158091954
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 159868456
N-(1-acetylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 160421460
(E)-N-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 26017374
1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 29950372
(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 36514427
(E)-N-(cyclopentylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39210473
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 39888630
N-[1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47029929
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 47141250
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 47142301

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 77109646) is 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1nc(C=CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1.
What is the InChIKey of 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZYRHYVBYBMWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-17-12(9-21-11)2-3-14(20)18-6-4-15(5-7-18)8-13(19)16-10-15/h2-3,9H,4-8,10H2,1H3,(H,16,19).
What are the key properties of 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 305.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 77109646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).