5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione

C11H13N3O3S — CID 112599943

IUPAC5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1nc(CN2C(=O)NC(=O)C(C)(C)C2=O)cs1
InChIInChI=1S/C11H13N3O3S/c1-6-12-7(5-18-6)4-14-9(16)11(2,3)8(15)13-10(14)17/h5H,4H2,1-3H3,(H,13,15,17)
InChIKeyXCTAPDAZQNYTGT-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.06
Rot. Bonds2

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

5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112599943) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID112599943
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1nc(CN2C(=O)NC(=O)C(C)(C)C2=O)cs1
InChIInChI=1S/C11H13N3O3S/c1-6-12-7(5-18-6)4-14-9(16)11(2,3)8(15)13-10(14)17/h5H,4H2,1-3H3,(H,13,15,17)
InChIKeyXCTAPDAZQNYTGT-UHFFFAOYSA-N
XLogP1.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106901068
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64966350
4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61359679
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 112599943) is 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione is Cc1nc(CN2C(=O)NC(=O)C(C)(C)C2=O)cs1.
What is the InChIKey of 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XCTAPDAZQNYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-12-7(5-18-6)4-14-9(16)11(2,3)8(15)13-10(14)17/h5H,4H2,1-3H3,(H,13,15,17).
What are the key properties of 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione?
5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 267.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).