(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

C16H10F2N2O2S — CID 2536378

IUPAC(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H10F2N2O2S/c17-12-5-3-10(8-13(12)18)14-9-23-16(19-14)20-15(21)6-4-11-2-1-7-22-11/h1-9H,(H,19,20,21)/b6-4+
InChIKeyVHMYIAKACMDGPH-GQCTYLIASA-N
MW332.33 g/mol
LogP4.33
Rot. Bonds4

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

(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 2536378) has the molecular formula C16H10F2N2O2S and a molecular weight of 332.33 g/mol. Its IUPAC name is (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID2536378
Molecular FormulaC16H10F2N2O2S
Molecular Weight332.33 g/mol
Exact Mass332.04
IUPAC Name(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H10F2N2O2S/c17-12-5-3-10(8-13(12)18)14-9-23-16(19-14)20-15(21)6-4-11-2-1-7-22-11/h1-9H,(H,19,20,21)/b6-4+
InChIKeyVHMYIAKACMDGPH-GQCTYLIASA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (CID 2536378) is (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is VHMYIAKACMDGPH-GQCTYLIASA-N. The full InChI is InChI=1S/C16H10F2N2O2S/c17-12-5-3-10(8-13(12)18)14-9-23-16(19-14)20-15(21)6-4-11-2-1-7-22-11/h1-9H,(H,19,20,21)/b6-4+.
What are the key properties of (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 332.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2536378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).