(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C15H11N3O2S — CID 2406282

IUPAC(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H11N3O2S/c19-14(7-6-11-4-3-9-20-11)18-15-17-13(10-21-15)12-5-1-2-8-16-12/h1-10H,(H,17,18,19)/b7-6+
InChIKeySINMVFAMZSEKIJ-VOTSOKGWSA-N
MW297.34 g/mol
LogP3.45
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2406282) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2406282
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H11N3O2S/c19-14(7-6-11-4-3-9-20-11)18-15-17-13(10-21-15)12-5-1-2-8-16-12/h1-10H,(H,17,18,19)/b7-6+
InChIKeySINMVFAMZSEKIJ-VOTSOKGWSA-N
XLogP3.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
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)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 2406282) is (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is SINMVFAMZSEKIJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14(7-6-11-4-3-9-20-11)18-15-17-13(10-21-15)12-5-1-2-8-16-12/h1-10H,(H,17,18,19)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 297.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2406282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).