2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid

C15H20N2O2S2 — CID 81344298

IUPAC2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1CC(C)(C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-4-11-8-16-14(21-9-13(18)19)17(11)10-15(2,3)12-6-5-7-20-12/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyRXJQJUIHCBHCTM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.66
Rot. Bonds7

About 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid

2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 81344298) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID81344298
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1CC(C)(C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-4-11-8-16-14(21-9-13(18)19)17(11)10-15(2,3)12-6-5-7-20-12/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyRXJQJUIHCBHCTM-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid (CID 81344298) is 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid is CCc1cnc(SCC(=O)O)n1CC(C)(C)c1cccs1.
What is the InChIKey of 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is RXJQJUIHCBHCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-11-8-16-14(21-9-13(18)19)17(11)10-15(2,3)12-6-5-7-20-12/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid?
2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 324.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81344298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).