ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate

C11H13N5O3S — CID 60795222

IUPACethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O3S/c1-3-19-11(18)8-4-7(2)20-10(8)13-9(17)5-16-6-12-14-15-16/h4,6H,3,5H2,1-2H3,(H,13,17)
InChIKeyJXYSUAWNNCDWMX-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.86
Rot. Bonds5

About ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 60795222) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID60795222
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Nameethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O3S/c1-3-19-11(18)8-4-7(2)20-10(8)13-9(17)5-16-6-12-14-15-16/h4,6H,3,5H2,1-2H3,(H,13,17)
InChIKeyJXYSUAWNNCDWMX-UHFFFAOYSA-N
XLogP0.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 63618199
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 122157163
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)acetyl]amino]thiophene-3-carboxylate
CID 110503199
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
ethyl 5-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 6469549
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
ethyl 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-5-methylthiophene-3-carboxylate
CID 63618206

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 60795222) is ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)Cn1cnnn1.
What is the InChIKey of ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JXYSUAWNNCDWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-3-19-11(18)8-4-7(2)20-10(8)13-9(17)5-16-6-12-14-15-16/h4,6H,3,5H2,1-2H3,(H,13,17).
What are the key properties of ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 60795222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).