(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate

C15H20N4O3S — CID 55400770

IUPAC(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
SMILESCCCn1nnnc1COC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C15H20N4O3S/c1-4-7-19-14(16-17-18-19)9-22-15(21)6-5-13(20)12-8-10(2)23-11(12)3/h8H,4-7,9H2,1-3H3
InChIKeyGGANZAMOIYUVKT-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.47
Rot. Bonds8

About (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate

(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate (PubChem CID 55400770) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
PubChem CID55400770
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
SMILESCCCn1nnnc1COC(=O)CCC(=O)c1cc(C)sc1C
InChIInChI=1S/C15H20N4O3S/c1-4-7-19-14(16-17-18-19)9-22-15(21)6-5-13(20)12-8-10(2)23-11(12)3/h8H,4-7,9H2,1-3H3
InChIKeyGGANZAMOIYUVKT-UHFFFAOYSA-N
XLogP2.47
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate (CID 55400770) is (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate is CCCn1nnnc1COC(=O)CCC(=O)c1cc(C)sc1C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate?
The InChIKey is GGANZAMOIYUVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-7-19-14(16-17-18-19)9-22-15(21)6-5-13(20)12-8-10(2)23-11(12)3/h8H,4-7,9H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate?
(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate has a molecular weight of 336.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate is sourced from PubChem (CID 55400770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).