ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate

C11H11N3O3S2 — CID 65216558

IUPACethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1csnn1
InChIInChI=1S/C11H11N3O3S2/c1-3-17-11(16)7-4-6(2)19-10(7)12-9(15)8-5-18-14-13-8/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyJEKSIIXOHPIDAC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.34
Rot. Bonds4

About ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 65216558) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
PubChem CID65216558
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Nameethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1csnn1
InChIInChI=1S/C11H11N3O3S2/c1-3-17-11(16)7-4-6(2)19-10(7)12-9(15)8-5-18-14-13-8/h4-5H,3H2,1-2H3,(H,12,15)
InChIKeyJEKSIIXOHPIDAC-UHFFFAOYSA-N
XLogP2.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616688
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 63617190

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate (CID 65216558) is ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1csnn1.
What is the InChIKey of ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is JEKSIIXOHPIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c1-3-17-11(16)7-4-6(2)19-10(7)12-9(15)8-5-18-14-13-8/h4-5H,3H2,1-2H3,(H,12,15).
What are the key properties of ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 65216558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).