[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate

C14H15N3O3S — CID 7576923

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2snnc2C)cc1
InChIInChI=1S/C14H15N3O3S/c1-3-10-4-6-11(7-5-10)15-12(18)8-20-14(19)13-9(2)16-17-21-13/h4-7H,3,8H2,1-2H3,(H,15,18)
InChIKeyOXYJSNMLTDGCIG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.20
Rot. Bonds5

About [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate

[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate (PubChem CID 7576923) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
PubChem CID7576923
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2snnc2C)cc1
InChIInChI=1S/C14H15N3O3S/c1-3-10-4-6-11(7-5-10)15-12(18)8-20-14(19)13-9(2)16-17-21-13/h4-7H,3,8H2,1-2H3,(H,15,18)
InChIKeyOXYJSNMLTDGCIG-UHFFFAOYSA-N
XLogP2.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate with MolForge

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534701
[2-(4-ethylanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625490
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55394303
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-ethylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483579
[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535449
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954923
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640770
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9134946

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate (CID 7576923) is [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate is CCc1ccc(NC(=O)COC(=O)c2snnc2C)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The InChIKey is OXYJSNMLTDGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-10-4-6-11(7-5-10)15-12(18)8-20-14(19)13-9(2)16-17-21-13/h4-7H,3,8H2,1-2H3,(H,15,18).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 7576923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).