[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone

C18H20ClN3OS — CID 97393075

IUPAC[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClN3OS/c19-15-4-1-3-14(9-15)10-22-7-2-5-18(22)6-8-21(12-18)17(23)16-11-24-13-20-16/h1,3-4,9,11,13H,2,5-8,10,12H2/t18-/m0/s1
InChIKeyINRJOWJJGAUNQR-SFHVURJKSA-N
MW361.90 g/mol
LogP3.68
Rot. Bonds3

About [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone

[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97393075) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97393075
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC Name[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C18H20ClN3OS/c19-15-4-1-3-14(9-15)10-22-7-2-5-18(22)6-8-21(12-18)17(23)16-11-24-13-20-16/h1,3-4,9,11,13H,2,5-8,10,12H2/t18-/m0/s1
InChIKeyINRJOWJJGAUNQR-SFHVURJKSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone (CID 97393075) is [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is INRJOWJJGAUNQR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c19-15-4-1-3-14(9-15)10-22-7-2-5-18(22)6-8-21(12-18)17(23)16-11-24-13-20-16/h1,3-4,9,11,13H,2,5-8,10,12H2/t18-/m0/s1.
What are the key properties of [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 361.90 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97393075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).