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

C16H17N3OS — CID 117163720

IUPAC3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(-n2c(CC3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C16H17N3OS/c1-2-10-21-12(5-1)11-14-18-13-6-3-8-17-16(13)19(14)15-7-4-9-20-15/h3-4,6-9,12H,1-2,5,10-11H2
InChIKeyOSWNRBXQVYJRNI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.84
Rot. Bonds3

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

3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163720) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163720
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(-n2c(CC3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C16H17N3OS/c1-2-10-21-12(5-1)11-14-18-13-6-3-8-17-16(13)19(14)15-7-4-9-20-15/h3-4,6-9,12H,1-2,5,10-11H2
InChIKeyOSWNRBXQVYJRNI-UHFFFAOYSA-N
XLogP3.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
2-[[3-(furan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165248
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 117160854
2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163720) is 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is c1coc(-n2c(CC3CCCCS3)nc3cccnc32)c1.
What is the InChIKey of 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OSWNRBXQVYJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-10-21-12(5-1)11-14-18-13-6-3-8-17-16(13)19(14)15-7-4-9-20-15/h3-4,6-9,12H,1-2,5,10-11H2.
What are the key properties of 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).