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

C10H11N3O3S — CID 113387614

IUPAC1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cnc(C(C)N2C(=O)CC(=O)NC2=O)s1
InChIInChI=1S/C10H11N3O3S/c1-5-4-11-9(17-5)6(2)13-8(15)3-7(14)12-10(13)16/h4,6H,3H2,1-2H3,(H,12,14,16)
InChIKeyPCCLRPYJUYYRRF-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.98
Rot. Bonds2

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

1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 113387614) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID113387614
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cnc(C(C)N2C(=O)CC(=O)NC2=O)s1
InChIInChI=1S/C10H11N3O3S/c1-5-4-11-9(17-5)6(2)13-8(15)3-7(14)12-10(13)16/h4,6H,3H2,1-2H3,(H,12,14,16)
InChIKeyPCCLRPYJUYYRRF-UHFFFAOYSA-N
XLogP0.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.98
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,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
CID 71868531
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819563
3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
CID 119048108
5-[(5-Methylthiazol-2-yl)diazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 139071561
1-[1-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-1,3-diazinane-2,4,6-trione
CID 104217400
6-chloro-5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372732
5-Fluoro-6-hydroxy-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 113387615
5-Fluoro-1-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 116388468
1-Propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 167818807
1-[2-(5-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18682296
5-methyl-N-(piperidine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 70669496
1-[2-(5-Ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 142075753

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione (CID 113387614) is 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione is Cc1cnc(C(C)N2C(=O)CC(=O)NC2=O)s1.
What is the InChIKey of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is PCCLRPYJUYYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-5-4-11-9(17-5)6(2)13-8(15)3-7(14)12-10(13)16/h4,6H,3H2,1-2H3,(H,12,14,16).
What are the key properties of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 253.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 113387614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).