2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole

C20H19N3OS — CID 141092317

IUPAC2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole
SMILESCCc1cc(-c2nc(-c3ccc(C)n3Cc3ccco3)cs2)ccn1
InChIInChI=1S/C20H19N3OS/c1-3-16-11-15(8-9-21-16)20-22-18(13-25-20)19-7-6-14(2)23(19)12-17-5-4-10-24-17/h4-11,13H,3,12H2,1-2H3
InChIKeyUYXIXARGJGKRFH-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.19
Rot. Bonds5

About 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole

2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole (PubChem CID 141092317) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole
PubChem CID141092317
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole
SMILESCCc1cc(-c2nc(-c3ccc(C)n3Cc3ccco3)cs2)ccn1
InChIInChI=1S/C20H19N3OS/c1-3-16-11-15(8-9-21-16)20-22-18(13-25-20)19-7-6-14(2)23(19)12-17-5-4-10-24-17/h4-11,13H,3,12H2,1-2H3
InChIKeyUYXIXARGJGKRFH-UHFFFAOYSA-N
XLogP5.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole (CID 141092317) is 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole is CCc1cc(-c2nc(-c3ccc(C)n3Cc3ccco3)cs2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole?
The InChIKey is UYXIXARGJGKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-3-16-11-15(8-9-21-16)20-22-18(13-25-20)19-7-6-14(2)23(19)12-17-5-4-10-24-17/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole?
2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole has a molecular weight of 349.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-4-[1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole is sourced from PubChem (CID 141092317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).