(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone

C19H28N2O2S — CID 164642110

IUPAC(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone
SMILESCc1nc(C2CCCCC2)sc1C(=O)N1CC[C@H](O)CC12CCC2
InChIInChI=1S/C19H28N2O2S/c1-13-16(24-17(20-13)14-6-3-2-4-7-14)18(23)21-11-8-15(22)12-19(21)9-5-10-19/h14-15,22H,2-12H2,1H3/t15-/m0/s1
InChIKeyAFYNUSIEHMVCAG-HNNXBMFYSA-N
MW348.51 g/mol
LogP4.02
Rot. Bonds2

About (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone

(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone (PubChem CID 164642110) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone
PubChem CID164642110
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone
SMILESCc1nc(C2CCCCC2)sc1C(=O)N1CC[C@H](O)CC12CCC2
InChIInChI=1S/C19H28N2O2S/c1-13-16(24-17(20-13)14-6-3-2-4-7-14)18(23)21-11-8-15(22)12-19(21)9-5-10-19/h14-15,22H,2-12H2,1H3/t15-/m0/s1
InChIKeyAFYNUSIEHMVCAG-HNNXBMFYSA-N
XLogP4.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-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 (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone?
The IUPAC name of (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone (CID 164642110) is (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone.
What is the SMILES notation for (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone?
The canonical SMILES for (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone is Cc1nc(C2CCCCC2)sc1C(=O)N1CC[C@H](O)CC12CCC2.
What is the InChIKey of (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone?
The InChIKey is AFYNUSIEHMVCAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13-16(24-17(20-13)14-6-3-2-4-7-14)18(23)21-11-8-15(22)12-19(21)9-5-10-19/h14-15,22H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone?
(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone has a molecular weight of 348.51 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone is sourced from PubChem (CID 164642110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).