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

C14H21N3O2S — CID 64973207

IUPAC3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
SMILESCCC(c1nccs1)N1CCC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10(12-15-7-9-20-12)17-8-6-11(18)16-14(3,5-2)13(17)19/h7,9-10H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyNDASVDUJLDYECW-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.11
Rot. Bonds4

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

3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione (PubChem CID 64973207) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
PubChem CID64973207
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
SMILESCCC(c1nccs1)N1CCC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10(12-15-7-9-20-12)17-8-6-11(18)16-14(3,5-2)13(17)19/h7,9-10H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyNDASVDUJLDYECW-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
CID 64972630
3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972721
1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione
CID 79515797
3-ethyl-1-(3-ethylpentan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64971625
1-(1-ethoxypropan-2-yl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64967932
3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973282
3-ethyl-3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64965581
2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79917965
2-[1-(3-ethyl-3-methyl-1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64951418
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64970696
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 107902510
2-[1-(1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64948646

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione (CID 64973207) is 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione is CCC(c1nccs1)N1CCC(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione?
The InChIKey is NDASVDUJLDYECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10(12-15-7-9-20-12)17-8-6-11(18)16-14(3,5-2)13(17)19/h7,9-10H,4-6,8H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione?
3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).