(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one

C15H10N2OS2 — CID 56824797

IUPAC(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1csc(-c2cccs2)n1)c1cccnc1
InChIInChI=1S/C15H10N2OS2/c18-13(11-3-1-7-16-9-11)6-5-12-10-20-15(17-12)14-4-2-8-19-14/h1-10H/b6-5+
InChIKeyJXEWZKWRYMFXJW-AATRIKPKSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds4

About (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one

(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 56824797) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID56824797
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1csc(-c2cccs2)n1)c1cccnc1
InChIInChI=1S/C15H10N2OS2/c18-13(11-3-1-7-16-9-11)6-5-12-10-20-15(17-12)14-4-2-8-19-14/h1-10H/b6-5+
InChIKeyJXEWZKWRYMFXJW-AATRIKPKSA-N
XLogP4.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one (CID 56824797) is (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1csc(-c2cccs2)n1)c1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is JXEWZKWRYMFXJW-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10N2OS2/c18-13(11-3-1-7-16-9-11)6-5-12-10-20-15(17-12)14-4-2-8-19-14/h1-10H/b6-5+.
What are the key properties of (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
(E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 298.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-3-yl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 56824797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).