4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine

C20H14N4OS — CID 29182414

IUPAC4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(-c2ccn(Cc3nccs3)n2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C20H14N4OS/c1-2-14(17-5-9-24(23-17)13-19-21-8-11-26-19)12-15(3-1)20-16-6-10-25-18(16)4-7-22-20/h1-12H,13H2
InChIKeyGSUMJYXZKYKMKQ-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.86
Rot. Bonds4

About 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine

4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (PubChem CID 29182414) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
PubChem CID29182414
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESc1cc(-c2ccn(Cc3nccs3)n2)cc(-c2nccc3occc23)c1
InChIInChI=1S/C20H14N4OS/c1-2-14(17-5-9-24(23-17)13-19-21-8-11-26-19)12-15(3-1)20-16-6-10-25-18(16)4-7-22-20/h1-12H,13H2
InChIKeyGSUMJYXZKYKMKQ-UHFFFAOYSA-N
XLogP4.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (CID 29182414) is 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is c1cc(-c2ccn(Cc3nccs3)n2)cc(-c2nccc3occc23)c1.
What is the InChIKey of 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The InChIKey is GSUMJYXZKYKMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-2-14(17-5-9-24(23-17)13-19-21-8-11-26-19)12-15(3-1)20-16-6-10-25-18(16)4-7-22-20/h1-12H,13H2.
What are the key properties of 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine has a molecular weight of 358.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1,3-thiazol-2-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 29182414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).