(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

C20H12N2OS2 — CID 7308510

IUPAC(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1
InChIInChI=1S/C20H12N2OS2/c21-12-15(20-22-17(13-25-20)19-7-4-10-24-19)11-16-8-9-18(23-16)14-5-2-1-3-6-14/h1-11,13H/b15-11-
InChIKeyGWMFKNFHWXZYIZ-PTNGSMBKSA-N
MW360.46 g/mol
LogP6.20
Rot. Bonds4

About (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile (PubChem CID 7308510) has the molecular formula C20H12N2OS2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
PubChem CID7308510
Molecular FormulaC20H12N2OS2
Molecular Weight360.46 g/mol
Exact Mass360.04
IUPAC Name(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1
InChIInChI=1S/C20H12N2OS2/c21-12-15(20-22-17(13-25-20)19-7-4-10-24-19)11-16-8-9-18(23-16)14-5-2-1-3-6-14/h1-11,13H/b15-11-
InChIKeyGWMFKNFHWXZYIZ-PTNGSMBKSA-N
XLogP6.20
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.20
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile (CID 7308510) is (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1.
What is the InChIKey of (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
The InChIKey is GWMFKNFHWXZYIZ-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H12N2OS2/c21-12-15(20-22-17(13-25-20)19-7-4-10-24-19)11-16-8-9-18(23-16)14-5-2-1-3-6-14/h1-11,13H/b15-11-.
What are the key properties of (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile?
(Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile has a molecular weight of 360.46 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-phenylfuran-2-yl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is sourced from PubChem (CID 7308510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).