(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H23N3O2S — CID 97191134

IUPAC(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cs1
InChIInChI=1S/C20H23N3O2S/c1-14-21-16(13-26-14)11-18(24)23-9-7-20(8-10-23)12-17(19(25)22-20)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZSGJXJYQAITHGR-QGZVFWFLSA-N
MW369.49 g/mol
LogP2.66
Rot. Bonds3

About (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97191134) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97191134
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cs1
InChIInChI=1S/C20H23N3O2S/c1-14-21-16(13-26-14)11-18(24)23-9-7-20(8-10-23)12-17(19(25)22-20)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZSGJXJYQAITHGR-QGZVFWFLSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97191134) is (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cs1.
What is the InChIKey of (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZSGJXJYQAITHGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-21-16(13-26-14)11-18(24)23-9-7-20(8-10-23)12-17(19(25)22-20)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 369.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97191134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).