3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

C13H10F2N2O2S — CID 3932279

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(OC(F)F)cc1)Nc1nccs1
InChIInChI=1S/C13H10F2N2O2S/c14-12(15)19-10-4-1-9(2-5-10)3-6-11(18)17-13-16-7-8-20-13/h1-8,12H,(H,16,17,18)
InChIKeyBEUZCVGIWCZGSD-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.40
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide

3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 3932279) has the molecular formula C13H10F2N2O2S and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID3932279
Molecular FormulaC13H10F2N2O2S
Molecular Weight296.30 g/mol
Exact Mass296.04
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(OC(F)F)cc1)Nc1nccs1
InChIInChI=1S/C13H10F2N2O2S/c14-12(15)19-10-4-1-9(2-5-10)3-6-11(18)17-13-16-7-8-20-13/h1-8,12H,(H,16,17,18)
InChIKeyBEUZCVGIWCZGSD-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.40
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 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 3932279) is 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccc(OC(F)F)cc1)Nc1nccs1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is BEUZCVGIWCZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S/c14-12(15)19-10-4-1-9(2-5-10)3-6-11(18)17-13-16-7-8-20-13/h1-8,12H,(H,16,17,18).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 296.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 3932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).