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

C15H22N4O2S — CID 55400115

IUPAC(1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCc2nnnn2CCC)cc1CC
InChIInChI=1S/C15H22N4O2S/c1-4-7-12-11(6-3)9-13(22-12)15(20)21-10-14-16-17-18-19(14)8-5-2/h9H,4-8,10H2,1-3H3
InChIKeyIAJCJCCFCJGDBB-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.02
Rot. Bonds8

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

(1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 55400115) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID55400115
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCc2nnnn2CCC)cc1CC
InChIInChI=1S/C15H22N4O2S/c1-4-7-12-11(6-3)9-13(22-12)15(20)21-10-14-16-17-18-19(14)8-5-2/h9H,4-8,10H2,1-3H3
InChIKeyIAJCJCCFCJGDBB-UHFFFAOYSA-N
XLogP3.02
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.02
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 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate (CID 55400115) is (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OCc2nnnn2CCC)cc1CC.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is IAJCJCCFCJGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-7-12-11(6-3)9-13(22-12)15(20)21-10-14-16-17-18-19(14)8-5-2/h9H,4-8,10H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate?
(1-propyltetrazol-5-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 3.02, 8 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 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 55400115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).