[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone

C15H23N3O3S — CID 72941082

IUPAC[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
SMILESCN(C)Cc1nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cs1
InChIInChI=1S/C15H23N3O3S/c1-17(2)8-13-16-10(9-22-13)14(21)18-5-3-15(4-6-18)11(19)7-12(15)20/h9,11-12,19-20H,3-8H2,1-2H3/t11-,12+
InChIKeyYRHKATHIVRNYOD-TXEJJXNPSA-N
MW325.43 g/mol
LogP0.55
Rot. Bonds3

About [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone

[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 72941082) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
PubChem CID72941082
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
SMILESCN(C)Cc1nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cs1
InChIInChI=1S/C15H23N3O3S/c1-17(2)8-13-16-10(9-22-13)14(21)18-5-3-15(4-6-18)11(19)7-12(15)20/h9,11-12,19-20H,3-8H2,1-2H3/t11-,12+
InChIKeyYRHKATHIVRNYOD-TXEJJXNPSA-N
XLogP0.55
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone 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 [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone (CID 72941082) is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone is CN(C)Cc1nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)cs1.
What is the InChIKey of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is YRHKATHIVRNYOD-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17(2)8-13-16-10(9-22-13)14(21)18-5-3-15(4-6-18)11(19)7-12(15)20/h9,11-12,19-20H,3-8H2,1-2H3/t11-,12+.
What are the key properties of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone?
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 325.43 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72941082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).