2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C14H20N4O2S — CID 72888228

IUPAC2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(CCC(=O)N2CCC3(CCCNC3=O)C2)cs1
InChIInChI=1S/C14H20N4O2S/c15-13-17-10(8-21-13)2-3-11(19)18-7-5-14(9-18)4-1-6-16-12(14)20/h8H,1-7,9H2,(H2,15,17)(H,16,20)
InChIKeyWYCJZGQILYYFRB-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.79
Rot. Bonds3

About 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72888228) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72888228
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(CCC(=O)N2CCC3(CCCNC3=O)C2)cs1
InChIInChI=1S/C14H20N4O2S/c15-13-17-10(8-21-13)2-3-11(19)18-7-5-14(9-18)4-1-6-16-12(14)20/h8H,1-7,9H2,(H2,15,17)(H,16,20)
InChIKeyWYCJZGQILYYFRB-UHFFFAOYSA-N
XLogP0.79
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72888228) is 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is Nc1nc(CCC(=O)N2CCC3(CCCNC3=O)C2)cs1.
What is the InChIKey of 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WYCJZGQILYYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c15-13-17-10(8-21-13)2-3-11(19)18-7-5-14(9-18)4-1-6-16-12(14)20/h8H,1-7,9H2,(H2,15,17)(H,16,20).
What are the key properties of 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 308.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72888228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).