1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

C13H17N3O3S — CID 115947705

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2nc(C)c(C)s2)C1=O
InChIInChI=1S/C13H17N3O3S/c1-5-13(6-2)9(17)15-11(19)16(10(13)18)12-14-7(3)8(4)20-12/h5-6H2,1-4H3,(H,15,17,19)
InChIKeySQNUACJLGICJBA-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.15
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115947705) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115947705
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2nc(C)c(C)s2)C1=O
InChIInChI=1S/C13H17N3O3S/c1-5-13(6-2)9(17)15-11(19)16(10(13)18)12-14-7(3)8(4)20-12/h5-6H2,1-4H3,(H,15,17,19)
InChIKeySQNUACJLGICJBA-UHFFFAOYSA-N
XLogP2.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 17191161
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 4293069
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464859
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17478633
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47992212
2-carbamothioyl-2-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide
CID 61835286
1-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 61835854
4-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 61836046
2-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 61836047
2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 61842207
2-carbamothioyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 61857850

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115947705) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(c2nc(C)c(C)s2)C1=O.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SQNUACJLGICJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-5-13(6-2)9(17)15-11(19)16(10(13)18)12-14-7(3)8(4)20-12/h5-6H2,1-4H3,(H,15,17,19).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 295.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).