6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine

C20H12N4OS — CID 123231288

IUPAC6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine
SMILESc1ccc(-c2cc3occc3c(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C20H12N4OS/c1-2-8-22-15(5-1)16-10-17-14(6-9-25-17)19(24-16)18-12-23-20(26-18)13-4-3-7-21-11-13/h1-12H
InChIKeyCVSHPQVNPVKGIA-UHFFFAOYSA-N
MW356.41 g/mol
LogP5.08
Rot. Bonds3

About 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine

6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine (PubChem CID 123231288) has the molecular formula C20H12N4OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound Name6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine
PubChem CID123231288
Molecular FormulaC20H12N4OS
Molecular Weight356.41 g/mol
Exact Mass356.07
IUPAC Name6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine
SMILESc1ccc(-c2cc3occc3c(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C20H12N4OS/c1-2-8-22-15(5-1)16-10-17-14(6-9-25-17)19(24-16)18-12-23-20(26-18)13-4-3-7-21-11-13/h1-12H
InChIKeyCVSHPQVNPVKGIA-UHFFFAOYSA-N
XLogP5.08
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine?
The IUPAC name of 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine (CID 123231288) is 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine.
What is the SMILES notation for 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine?
The canonical SMILES for 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine is c1ccc(-c2cc3occc3c(-c3cnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine?
The InChIKey is CVSHPQVNPVKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4OS/c1-2-8-22-15(5-1)16-10-17-14(6-9-25-17)19(24-16)18-12-23-20(26-18)13-4-3-7-21-11-13/h1-12H.
What are the key properties of 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine?
6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine has a molecular weight of 356.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 123231288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).