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

C14H20N4S — CID 66445041

IUPAC3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCC(C)n1c(CC2CSCCN2)nc2cccnc21
InChIInChI=1S/C14H20N4S/c1-10(2)18-13(8-11-9-19-7-6-15-11)17-12-4-3-5-16-14(12)18/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyDYYBHNSGNUSZEJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.26
Rot. Bonds3

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

3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (PubChem CID 66445041) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
PubChem CID66445041
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCC(C)n1c(CC2CSCCN2)nc2cccnc21
InChIInChI=1S/C14H20N4S/c1-10(2)18-13(8-11-9-19-7-6-15-11)17-12-4-3-5-16-14(12)18/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyDYYBHNSGNUSZEJ-UHFFFAOYSA-N
XLogP2.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.26
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)thiomorpholine
CID 82904097
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
CID 66442912
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pentan-2-amine
CID 82846873
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
CID 66444646
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (CID 66445041) is 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine is CC(C)n1c(CC2CSCCN2)nc2cccnc21.
What is the InChIKey of 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The InChIKey is DYYBHNSGNUSZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(2)18-13(8-11-9-19-7-6-15-11)17-12-4-3-5-16-14(12)18/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of 3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine has a molecular weight of 276.41 g/mol, XLogP of 2.26, 3 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)methyl]thiomorpholine is sourced from PubChem (CID 66445041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).