3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine

C13H18N4S — CID 82904097

IUPAC3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
SMILESCC(C)n1c(C2CSCCN2)nc2cccnc21
InChIInChI=1S/C13H18N4S/c1-9(2)17-12-10(4-3-5-15-12)16-13(17)11-8-18-7-6-14-11/h3-5,9,11,14H,6-8H2,1-2H3
InChIKeyUFYZNLUTIQKECJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.39
Rot. Bonds2

About 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine

3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine (PubChem CID 82904097) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine.

Molecular Properties

Compound Name3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
PubChem CID82904097
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
SMILESCC(C)n1c(C2CSCCN2)nc2cccnc21
InChIInChI=1S/C13H18N4S/c1-9(2)17-12-10(4-3-5-15-12)16-13(17)11-8-18-7-6-14-11/h3-5,9,11,14H,6-8H2,1-2H3
InChIKeyUFYZNLUTIQKECJ-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66445041
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103551660
2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
CID 64559378
2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 83871240
3-pyridin-3-ylthiomorpholine
CID 3873279
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine?
The IUPAC name of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine (CID 82904097) is 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine.
What is the SMILES notation for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine?
The canonical SMILES for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine is CC(C)n1c(C2CSCCN2)nc2cccnc21.
What is the InChIKey of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine?
The InChIKey is UFYZNLUTIQKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)17-12-10(4-3-5-15-12)16-13(17)11-8-18-7-6-14-11/h3-5,9,11,14H,6-8H2,1-2H3.
What are the key properties of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine?
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine has a molecular weight of 262.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine is sourced from PubChem (CID 82904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).