(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one

C17H21N5OS — CID 97320117

IUPAC(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(-c2ncccn2)s1
InChIInChI=1S/C17H21N5OS/c1-2-22-14(21-17(16(22)23)7-4-3-5-8-17)12-11-20-15(24-12)13-18-9-6-10-19-13/h6,9-11,14,21H,2-5,7-8H2,1H3/t14-/m0/s1
InChIKeyMZZPHVBJXYNCJA-AWEZNQCLSA-N
MW343.46 g/mol
LogP2.75
Rot. Bonds3

About (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one

(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 97320117) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
PubChem CID97320117
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
SMILESCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(-c2ncccn2)s1
InChIInChI=1S/C17H21N5OS/c1-2-22-14(21-17(16(22)23)7-4-3-5-8-17)12-11-20-15(24-12)13-18-9-6-10-19-13/h6,9-11,14,21H,2-5,7-8H2,1H3/t14-/m0/s1
InChIKeyMZZPHVBJXYNCJA-AWEZNQCLSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
CID 75468519
(2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
CID 97320116
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103466789
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one
CID 97157268
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 167805224
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 71977107
8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246182
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244839

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one (CID 97320117) is (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one is CCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(-c2ncccn2)s1.
What is the InChIKey of (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is MZZPHVBJXYNCJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-22-14(21-17(16(22)23)7-4-3-5-8-17)12-11-20-15(24-12)13-18-9-6-10-19-13/h6,9-11,14,21H,2-5,7-8H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
(2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 343.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 97320117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).