(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N3OS — CID 97471872

IUPAC(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C18H21N3OS/c1-20-9-7-18(17(20)22)13-21(12-16-19-8-10-23-16)11-15(18)14-5-3-2-4-6-14/h2-6,8,10,15H,7,9,11-13H2,1H3/t15-,18+/m0/s1
InChIKeyCWFQEGODXIPTIU-MAUKXSAKSA-N
MW327.45 g/mol
LogP2.59
Rot. Bonds3

About (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471872) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471872
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C18H21N3OS/c1-20-9-7-18(17(20)22)13-21(12-16-19-8-10-23-16)11-15(18)14-5-3-2-4-6-14/h2-6,8,10,15H,7,9,11-13H2,1H3/t15-,18+/m0/s1
InChIKeyCWFQEGODXIPTIU-MAUKXSAKSA-N
XLogP2.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471872) is (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is CWFQEGODXIPTIU-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-20-9-7-18(17(20)22)13-21(12-16-19-8-10-23-16)11-15(18)14-5-3-2-4-6-14/h2-6,8,10,15H,7,9,11-13H2,1H3/t15-,18+/m0/s1.
What are the key properties of (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 327.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-methyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).