[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate

C10H10F3N5O4S — CID 21318288

IUPAC[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C10H10F3N5O4S/c1-3-14-8(20)22-5-4(19)18(9(21)17(5)2)7-16-15-6(23-7)10(11,12)13/h5H,3H2,1-2H3,(H,14,20)
InChIKeyWICHFNQLEJMGCQ-UHFFFAOYSA-N
MW353.28 g/mol
LogP1.03
Rot. Bonds3

About [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate

[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate (PubChem CID 21318288) has the molecular formula C10H10F3N5O4S and a molecular weight of 353.28 g/mol. Its IUPAC name is [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate
PubChem CID21318288
Molecular FormulaC10H10F3N5O4S
Molecular Weight353.28 g/mol
Exact Mass353.04
IUPAC Name[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C10H10F3N5O4S/c1-3-14-8(20)22-5-4(19)18(9(21)17(5)2)7-16-15-6(23-7)10(11,12)13/h5H,3H2,1-2H3,(H,14,20)
InChIKeyWICHFNQLEJMGCQ-UHFFFAOYSA-N
XLogP1.03
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate?
The IUPAC name of [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate (CID 21318288) is [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate.
What is the SMILES notation for [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate?
The canonical SMILES for [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate is CCNC(=O)OC1C(=O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C.
What is the InChIKey of [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate?
The InChIKey is WICHFNQLEJMGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O4S/c1-3-14-8(20)22-5-4(19)18(9(21)17(5)2)7-16-15-6(23-7)10(11,12)13/h5H,3H2,1-2H3,(H,14,20).
What are the key properties of [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate?
[3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate has a molecular weight of 353.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2,5-dioxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-4-yl] N-ethylcarbamate is sourced from PubChem (CID 21318288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).