(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile

C15H9N3OS — CID 99891762

IUPAC(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1csc(-c2ccco2)n1)c1ccccn1
InChIInChI=1S/C15H9N3OS/c16-9-11(13-4-1-2-6-17-13)8-12-10-20-15(18-12)14-5-3-7-19-14/h1-8,10H/b11-8+
InChIKeyZRBIIAPNBLKFLH-DHZHZOJOSA-N
MW279.32 g/mol
LogP3.86
Rot. Bonds3

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

(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 99891762) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
PubChem CID99891762
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1csc(-c2ccco2)n1)c1ccccn1
InChIInChI=1S/C15H9N3OS/c16-9-11(13-4-1-2-6-17-13)8-12-10-20-15(18-12)14-5-3-7-19-14/h1-8,10H/b11-8+
InChIKeyZRBIIAPNBLKFLH-DHZHZOJOSA-N
XLogP3.86
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile with MolForge

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Related Compounds

N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 30589060
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]benzonitrile
CID 78905650
(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 17464363
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
3-(2,5-dimethylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 5217687
2-(furan-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 51088405
(E)-3-(2-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864266

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile (CID 99891762) is (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1csc(-c2ccco2)n1)c1ccccn1.
What is the InChIKey of (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is ZRBIIAPNBLKFLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-9-11(13-4-1-2-6-17-13)8-12-10-20-15(18-12)14-5-3-7-19-14/h1-8,10H/b11-8+.
What are the key properties of (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 279.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 99891762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).