3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol

C17H17N3OS — CID 117163056

IUPAC3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol
SMILESOc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C17H17N3OS/c21-13-6-3-5-12(11-13)20-16-14(7-4-9-18-16)19-17(20)15-8-1-2-10-22-15/h3-7,9,11,15,21H,1-2,8,10H2
InChIKeyCZQFAPCVGHMXJG-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.08
Rot. Bonds2

About 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol

3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol (PubChem CID 117163056) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol
PubChem CID117163056
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol
SMILESOc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C17H17N3OS/c21-13-6-3-5-12(11-13)20-16-14(7-4-9-18-16)19-17(20)15-8-1-2-10-22-15/h3-7,9,11,15,21H,1-2,8,10H2
InChIKeyCZQFAPCVGHMXJG-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117163055
3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162481
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163061
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol (CID 117163056) is 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol is Oc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1.
What is the InChIKey of 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is CZQFAPCVGHMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-13-6-3-5-12(11-13)20-16-14(7-4-9-18-16)19-17(20)15-8-1-2-10-22-15/h3-7,9,11,15,21H,1-2,8,10H2.
What are the key properties of 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol?
3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 311.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 117163056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).