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

C19H11N3OS — CID 75459402

IUPAC(Z)-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-NVNXTCNLSA-N
MW329.38 g/mol
LogP5.02
Rot. Bonds3

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

(Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 75459402) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
PubChem CID75459402
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC Name(Z)-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-NVNXTCNLSA-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

2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-bromophenyl)prop-2-enenitrile
CID 4313225
(E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile;hydrochloride
CID 18558668
(E)-3-(3-hydroxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6052712
3-(4-hydroxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3129291
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 3120938
(Z)-3-(3,5-dichloro-4-hydroxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 135905885
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 2833713
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 3833015
2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
CID 3592854
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 75409758
(E)-3-(3-methylthiophen-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6243793

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile (CID 75459402) is (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-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 (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is JSUHUMPYHHSBER-NVNXTCNLSA-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 (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile?
(Z)-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 (Z)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 75459402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).