(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C19H21N3O2S — CID 97203748

IUPAC(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ncsc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C19H21N3O2S/c1-13-16(25-12-20-13)18(24)22-9-7-19(8-10-22)11-15(17(23)21-19)14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyAVGJSFLJOBNSRO-HNNXBMFYSA-N
MW355.46 g/mol
LogP2.73
Rot. Bonds2

About (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97203748) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97203748
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ncsc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C19H21N3O2S/c1-13-16(25-12-20-13)18(24)22-9-7-19(8-10-22)11-15(17(23)21-19)14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyAVGJSFLJOBNSRO-HNNXBMFYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97203748) is (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ncsc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2.
What is the InChIKey of (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AVGJSFLJOBNSRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-16(25-12-20-13)18(24)22-9-7-19(8-10-22)11-15(17(23)21-19)14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97203748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).