2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C14H13N3O2S2 — CID 79273840

IUPAC2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC(c1cccs1)n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C14H13N3O2S2/c1-9(11-5-3-7-20-11)17-13-10(4-2-6-15-13)16-14(17)21-8-12(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyMADRTYBOSDVELU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79273840) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79273840
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC(c1cccs1)n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C14H13N3O2S2/c1-9(11-5-3-7-20-11)17-13-10(4-2-6-15-13)16-14(17)21-8-12(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyMADRTYBOSDVELU-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290150
2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79274812
2-[1-(3,3-dimethylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 104828968
2-[3-(4-bromophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79275334
2-[3-(4-methoxybutyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79289245
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 107297120
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 82728858
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-[5-propan-2-yl-1-(1-pyridin-2-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 64864936
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673730
2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
CID 82514415

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79273840) is 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is CC(c1cccs1)n1c(SCC(=O)O)nc2cccnc21.
What is the InChIKey of 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is MADRTYBOSDVELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9(11-5-3-7-20-11)17-13-10(4-2-6-15-13)16-14(17)21-8-12(18)19/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 319.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79273840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).