1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H22N4O3S — CID 70713049

IUPAC1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC
InChIInChI=1S/C16H22N4O3S/c1-4-11-12(24-10(3)17-11)13(21)19-8-6-16(7-9-19)14(22)18-15(23)20(16)5-2/h4-9H2,1-3H3,(H,18,22,23)
InChIKeyKEFCIPCIGZWBKB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.56
Rot. Bonds3

About 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70713049) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70713049
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC
InChIInChI=1S/C16H22N4O3S/c1-4-11-12(24-10(3)17-11)13(21)19-8-6-16(7-9-19)14(22)18-15(23)20(16)5-2/h4-9H2,1-3H3,(H,18,22,23)
InChIKeyKEFCIPCIGZWBKB-UHFFFAOYSA-N
XLogP1.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70713049) is 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC.
What is the InChIKey of 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KEFCIPCIGZWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-11-12(24-10(3)17-11)13(21)19-8-6-16(7-9-19)14(22)18-15(23)20(16)5-2/h4-9H2,1-3H3,(H,18,22,23).
What are the key properties of 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 350.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70713049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).