3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol

C12H16N2O2S — CID 511750

IUPAC3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol
SMILESCc1cccc2ncc(CSCC(O)CO)n12
InChIInChI=1S/C12H16N2O2S/c1-9-3-2-4-12-13-5-10(14(9)12)7-17-8-11(16)6-15/h2-5,11,15-16H,6-8H2,1H3
InChIKeyKJWNOBZTRPUBFU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.23
Rot. Bonds5

About 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol

3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol (PubChem CID 511750) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol
PubChem CID511750
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol
SMILESCc1cccc2ncc(CSCC(O)CO)n12
InChIInChI=1S/C12H16N2O2S/c1-9-3-2-4-12-13-5-10(14(9)12)7-17-8-11(16)6-15/h2-5,11,15-16H,6-8H2,1H3
InChIKeyKJWNOBZTRPUBFU-UHFFFAOYSA-N
XLogP1.23
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol (CID 511750) is 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol is Cc1cccc2ncc(CSCC(O)CO)n12.
What is the InChIKey of 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol?
The InChIKey is KJWNOBZTRPUBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-3-2-4-12-13-5-10(14(9)12)7-17-8-11(16)6-15/h2-5,11,15-16H,6-8H2,1H3.
What are the key properties of 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol?
3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol has a molecular weight of 252.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 511750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).