4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate

C11H12N4O4S — CID 132558107

IUPAC4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1c(-n2cnnn2)sc(C(=O)OC)c1C
InChIInChI=1S/C11H12N4O4S/c1-4-19-10(16)7-6(2)8(11(17)18-3)20-9(7)15-5-12-13-14-15/h5H,4H2,1-3H3
InChIKeyYVYOJKFBZIKIBP-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.00
Rot. Bonds4

About 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate

4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate (PubChem CID 132558107) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate
PubChem CID132558107
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1c(-n2cnnn2)sc(C(=O)OC)c1C
InChIInChI=1S/C11H12N4O4S/c1-4-19-10(16)7-6(2)8(11(17)18-3)20-9(7)15-5-12-13-14-15/h5H,4H2,1-3H3
InChIKeyYVYOJKFBZIKIBP-UHFFFAOYSA-N
XLogP1.00
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl (6R)-6-methyl-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 95982195
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-sulfanylacetyl)amino]thiophene-2,4-dicarboxylate
CID 87894756
ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate
CID 7768765
methyl 2-[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 125434232
ethyl 2-[2-[[2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 45493676
4-O-ethyl 2-O-methyl 3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarboxylate
CID 103418425
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55704881
ethyl 4,5-dimethyl-2-[[(E)-3-[3-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate
CID 16652470
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate (CID 132558107) is 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate is CCOC(=O)c1c(-n2cnnn2)sc(C(=O)OC)c1C.
What is the InChIKey of 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate?
The InChIKey is YVYOJKFBZIKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-4-19-10(16)7-6(2)8(11(17)18-3)20-9(7)15-5-12-13-14-15/h5H,4H2,1-3H3.
What are the key properties of 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate?
4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate has a molecular weight of 296.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-methyl 3-methyl-5-(tetrazol-1-yl)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 132558107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).