2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid

C14H24N2O2S — CID 106330569

IUPAC2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
SMILESCCC(C)(CC)n1c(C(C)C)cnc1SCC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-11(10(3)4)8-15-13(16)19-9-12(17)18/h8,10H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyFIPUVDYTCMBHRD-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.72
Rot. Bonds7

About 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid

2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid (PubChem CID 106330569) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
PubChem CID106330569
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
SMILESCCC(C)(CC)n1c(C(C)C)cnc1SCC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-11(10(3)4)8-15-13(16)19-9-12(17)18/h8,10H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyFIPUVDYTCMBHRD-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hexan-3-yl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863206
2-[1-(1-ethoxy-1-oxopropan-2-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64863203
2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 106330048
2-[1-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 103112897
2-[1-(3-methylsulfanylpropyl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64863586
2-(1-cyclobutyl-5-propan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 64863584
2-[5-methyl-1-(2,4,4-trimethylpentan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 81337661
2-[5-propan-2-yl-1-(1-pyridin-2-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 64864936
2-[1-[(4-chlorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64865702
2-[1-(2-fluorophenyl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 64863194
2-[1-(1-cyclopropylethyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81337058
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 106389458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid (CID 106330569) is 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid is CCC(C)(CC)n1c(C(C)C)cnc1SCC(=O)O.
What is the InChIKey of 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid?
The InChIKey is FIPUVDYTCMBHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-11(10(3)4)8-15-13(16)19-9-12(17)18/h8,10H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid?
2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid has a molecular weight of 284.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 106330569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).