[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate

C14H17N3O3S — CID 8535520

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C14H17N3O3S/c1-5-11-13(21-16-15-11)14(19)20-7-12(18)10-6-8(2)17(4)9(10)3/h6H,5,7H2,1-4H3
InChIKeyDFJSVMCFNYOQGE-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.10
Rot. Bonds5

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535520) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535520
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C14H17N3O3S/c1-5-11-13(21-16-15-11)14(19)20-7-12(18)10-6-8(2)17(4)9(10)3/h6H,5,7H2,1-4H3
InChIKeyDFJSVMCFNYOQGE-UHFFFAOYSA-N
XLogP2.10
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535489
[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535449
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824842
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
4-ethylthiadiazole-5-carboxamide
CID 45084470
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 2479945
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672678
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2082968
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535910
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535804

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate (CID 8535520) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is DFJSVMCFNYOQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-5-11-13(21-16-15-11)14(19)20-7-12(18)10-6-8(2)17(4)9(10)3/h6H,5,7H2,1-4H3.
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).