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

C17H21N5OS — CID 97320116

IUPAC(2R)-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-/m1/s1
InChIKeyMZZPHVBJXYNCJA-CQSZACIVSA-N
MW343.46 g/mol
LogP2.75
Rot. Bonds3

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

(2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 97320116) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one
PubChem CID97320116
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2R)-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-/m1/s1
InChIKeyMZZPHVBJXYNCJA-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one (CID 97320116) is (2R)-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 (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for (2R)-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 (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is MZZPHVBJXYNCJA-CQSZACIVSA-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-/m1/s1.
What are the key properties of (2R)-3-ethyl-2-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)-1,3-diazaspiro[4.5]decan-4-one?
(2R)-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 (2R)-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 97320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).