2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C13H15N3O3S — CID 79292551

IUPAC2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1CC1CCCO1
InChIInChI=1S/C13H15N3O3S/c17-12(18)8-20-13-15-10-6-14-4-3-11(10)16(13)7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)
InChIKeyIYUXDTAKHDARDX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79292551) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID79292551
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1CC1CCCO1
InChIInChI=1S/C13H15N3O3S/c17-12(18)8-20-13-15-10-6-14-4-3-11(10)16(13)7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)
InChIKeyIYUXDTAKHDARDX-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104836668
2-[5-tert-butyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336662
2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 81178402
2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 83203299
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
2-[4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336757
2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271892
2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79273014
methyl 2-benzylsulfanyl-3-(oxolan-2-ylmethyl)benzimidazole-5-carboxylate
CID 156856893
3-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 5099069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 79292551) is 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cnccc2n1CC1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is IYUXDTAKHDARDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12(18)8-20-13-15-10-6-14-4-3-11(10)16(13)7-9-2-1-5-19-9/h3-4,6,9H,1-2,5,7-8H2,(H,17,18).
What are the key properties of 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79292551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).