1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione

C11H15N3O2S — CID 64973322

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCc1csc(C(C)N2CCC(=O)NCC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-7-6-17-11(13-7)8(2)14-4-3-9(15)12-5-10(14)16/h6,8H,3-5H2,1-2H3,(H,12,15)
InChIKeyQREPZQFKORTQLX-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.86
Rot. Bonds2

About 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione

1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 64973322) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID64973322
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCc1csc(C(C)N2CCC(=O)NCC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-7-6-17-11(13-7)8(2)14-4-3-9(15)12-5-10(14)16/h6,8H,3-5H2,1-2H3,(H,12,15)
InChIKeyQREPZQFKORTQLX-UHFFFAOYSA-N
XLogP0.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713179
1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64955458
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
4-methyl-2-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 64951847
3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973178
3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973260
2-[1-(3-ethyl-1,4-diazepan-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64950434
1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966347

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione (CID 64973322) is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione is Cc1csc(C(C)N2CCC(=O)NCC2=O)n1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is QREPZQFKORTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-6-17-11(13-7)8(2)14-4-3-9(15)12-5-10(14)16/h6,8H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione?
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 253.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64973322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).