[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone

C18H22N4OS — CID 3233513

IUPAC[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(16-12-24-20-19-16)22-9-4-7-18(14-22)8-10-21(13-18)11-15-5-2-1-3-6-15/h1-3,5-6,12H,4,7-11,13-14H2/t18-/m0/s1
InChIKeyGCJHGEXKCCNJPP-SFHVURJKSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds3

About [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone

[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone (PubChem CID 3233513) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone
PubChem CID3233513
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(16-12-24-20-19-16)22-9-4-7-18(14-22)8-10-21(13-18)11-15-5-2-1-3-6-15/h1-3,5-6,12H,4,7-11,13-14H2/t18-/m0/s1
InChIKeyGCJHGEXKCCNJPP-SFHVURJKSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-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 [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone (CID 3233513) is [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is GCJHGEXKCCNJPP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(16-12-24-20-19-16)22-9-4-7-18(14-22)8-10-21(13-18)11-15-5-2-1-3-6-15/h1-3,5-6,12H,4,7-11,13-14H2/t18-/m0/s1.
What are the key properties of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone?
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 3233513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).