2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid

C14H18N2O2S2 — CID 81336894

IUPAC2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C(C)Cc1ccsc1
InChIInChI=1S/C14H18N2O2S2/c1-3-12-7-15-14(20-9-13(17)18)16(12)10(2)6-11-4-5-19-8-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyNAZKUPDFKCRSFT-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.49
Rot. Bonds7

About 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid

2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 81336894) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
PubChem CID81336894
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
SMILESCCc1cnc(SCC(=O)O)n1C(C)Cc1ccsc1
InChIInChI=1S/C14H18N2O2S2/c1-3-12-7-15-14(20-9-13(17)18)16(12)10(2)6-11-4-5-19-8-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyNAZKUPDFKCRSFT-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-methyl-4-(1-thiophen-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61474743
2-[[5-amino-4-(1-thiophen-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573725
2-[1-(1-cyclopropylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337058
2-[5-ethyl-1-(1-methoxy-3-methyl-1-oxobutan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 81336396
2-[1-(1-cyclopentylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81343968
2-[1-[1-(4-fluorophenyl)propan-2-yl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81344735
2-[5-ethyl-1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 81345387
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81345223
2-[[4-(2-methylpropyl)-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115393118
2-[[5-ethyl-4-(2-thiophen-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61474640
2-[5-ethyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81337462
2-[5-ethyl-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81344298

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid (CID 81336894) is 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid is CCc1cnc(SCC(=O)O)n1C(C)Cc1ccsc1.
What is the InChIKey of 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is NAZKUPDFKCRSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-12-7-15-14(20-9-13(17)18)16(12)10(2)6-11-4-5-19-8-11/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid?
2-[5-ethyl-1-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 310.44 g/mol, XLogP of 3.49, 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-(1-thiophen-3-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81336894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).