3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine

C16H21N3OS — CID 117161893

IUPAC3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCSC1)n2C1CCCCO1
InChIInChI=1S/C16H21N3OS/c1-2-9-20-14(7-1)19-15(12-5-4-10-21-11-12)18-13-6-3-8-17-16(13)19/h3,6,8,12,14H,1-2,4-5,7,9-11H2
InChIKeyKYOREFOQWSTKGK-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.74
Rot. Bonds2

About 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine

3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161893) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161893
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCSC1)n2C1CCCCO1
InChIInChI=1S/C16H21N3OS/c1-2-9-20-14(7-1)19-15(12-5-4-10-21-11-12)18-13-6-3-8-17-16(13)19/h3,6,8,12,14H,1-2,4-5,7,9-11H2
InChIKeyKYOREFOQWSTKGK-UHFFFAOYSA-N
XLogP3.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959
2-(1-methylpiperidin-2-yl)-3-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162863
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine (CID 117161893) is 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCSC1)n2C1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is KYOREFOQWSTKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-9-20-14(7-1)19-15(12-5-4-10-21-11-12)18-13-6-3-8-17-16(13)19/h3,6,8,12,14H,1-2,4-5,7,9-11H2.
What are the key properties of 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 303.43 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).