ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C13H18N4O4S2 — CID 71848825

IUPACethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nnc(CC)s2)c1C
InChIInChI=1S/C13H18N4O4S2/c1-5-9-15-16-13(22-9)17-23(19,20)11-7(3)10(14-8(11)4)12(18)21-6-2/h14H,5-6H2,1-4H3,(H,16,17)
InChIKeyZVVWWCHMMNFXQZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.02
Rot. Bonds6

About ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 71848825) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID71848825
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Nameethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nnc(CC)s2)c1C
InChIInChI=1S/C13H18N4O4S2/c1-5-9-15-16-13(22-9)17-23(19,20)11-7(3)10(14-8(11)4)12(18)21-6-2/h14H,5-6H2,1-4H3,(H,16,17)
InChIKeyZVVWWCHMMNFXQZ-UHFFFAOYSA-N
XLogP2.02
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 50803780
ethyl 4-(tert-butylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53005261
ethyl 3,5-dimethyl-4-{[(oxolan-2-yl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 53005271
ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53005275
ethyl 4-[[N-ethyl-C-(4-ethyl-3,4-dihydropyrazol-2-yl)carbonimidoyl]sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 59339340
ethyl 3,5-dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylate
CID 68699363
Ethyl 5-formyl-3-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylate
CID 86641314
ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)sulfanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 11451371
ethyl 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 17564722
ethyl 3,5-dimethyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 71848824
ethyl 3,5-dimethyl-4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 80717143
ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 80736264

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 71848825) is ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nnc(CC)s2)c1C.
What is the InChIKey of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is ZVVWWCHMMNFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-5-9-15-16-13(22-9)17-23(19,20)11-7(3)10(14-8(11)4)12(18)21-6-2/h14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 358.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 71848825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).