(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate

C13H18N4O2S — CID 55401994

IUPAC(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C13H18N4O2S/c1-4-6-17-12(14-15-16-17)8-19-13(18)11-7-9(3)10(5-2)20-11/h7H,4-6,8H2,1-3H3
InChIKeyNLUVVOKSWAUXLH-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.37
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate

(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 55401994) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID55401994
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C13H18N4O2S/c1-4-6-17-12(14-15-16-17)8-19-13(18)11-7-9(3)10(5-2)20-11/h7H,4-6,8H2,1-3H3
InChIKeyNLUVVOKSWAUXLH-UHFFFAOYSA-N
XLogP2.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate (CID 55401994) is (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate is CCCn1nnnc1COC(=O)c1cc(C)c(CC)s1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is NLUVVOKSWAUXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-6-17-12(14-15-16-17)8-19-13(18)11-7-9(3)10(5-2)20-11/h7H,4-6,8H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate?
(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 55401994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).