2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid

C13H16N4O2S — CID 103385120

IUPAC2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
SMILESCn1cnc2c(N3CCSCC3CC(=O)O)nccc21
InChIInChI=1S/C13H16N4O2S/c1-16-8-15-12-10(16)2-3-14-13(12)17-4-5-20-7-9(17)6-11(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyYXKKTZBHHLBIEB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid

2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 103385120) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
PubChem CID103385120
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
SMILESCn1cnc2c(N3CCSCC3CC(=O)O)nccc21
InChIInChI=1S/C13H16N4O2S/c1-16-8-15-12-10(16)2-3-14-13(12)17-4-5-20-7-9(17)6-11(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19)
InChIKeyYXKKTZBHHLBIEB-UHFFFAOYSA-N
XLogP1.36
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid (CID 103385120) is 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid is Cn1cnc2c(N3CCSCC3CC(=O)O)nccc21.
What is the InChIKey of 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is YXKKTZBHHLBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-8-15-12-10(16)2-3-14-13(12)17-4-5-20-7-9(17)6-11(18)19/h2-3,8-9H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 103385120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).