(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile

C19H11N3OS — CID 6046219

IUPAC(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccnc1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H11N3OS/c20-10-15(8-13-4-3-7-21-11-13)19-22-16(12-24-19)18-9-14-5-1-2-6-17(14)23-18/h1-9,11-12H/b15-8+
InChIKeyJSUHUMPYHHSBER-OVCLIPMQSA-N
MW329.38 g/mol
LogP5.02
Rot. Bonds3

About (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile

(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 6046219) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
PubChem CID6046219
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC Name(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccnc1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H11N3OS/c20-10-15(8-13-4-3-7-21-11-13)19-22-16(12-24-19)18-9-14-5-1-2-6-17(14)23-18/h1-9,11-12H/b15-8+
InChIKeyJSUHUMPYHHSBER-OVCLIPMQSA-N
XLogP5.02
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
CID 648122
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
CID 89422315
6-(2-Furyl)-2-[(2-pyridinylmethyl)thio]-4-(trifluoromethyl)nicotinonitrile
CID 1086433
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 166626633
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-chloro-2-ethyl-4-pyridinyl)acetamide
CID 166628476
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 166631419
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide
CID 166631784

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile (CID 6046219) is (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile is N#C/C(=C\c1cccnc1)c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is JSUHUMPYHHSBER-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H11N3OS/c20-10-15(8-13-4-3-7-21-11-13)19-22-16(12-24-19)18-9-14-5-1-2-6-17(14)23-18/h1-9,11-12H/b15-8+.
What are the key properties of (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 329.38 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 6046219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).