3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

C19H14F2N2OS — CID 8840086

IUPAC3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14F2N2OS/c1-2-8-23(18(24)14-9-15(20)11-16(21)10-14)19-22-17(12-25-19)13-6-4-3-5-7-13/h2-7,9-12H,1,8H2
InChIKeyNCUOGGFOHTUXFH-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.92
Rot. Bonds5

About 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 8840086) has the molecular formula C19H14F2N2OS and a molecular weight of 356.40 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID8840086
Molecular FormulaC19H14F2N2OS
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14F2N2OS/c1-2-8-23(18(24)14-9-15(20)11-16(21)10-14)19-22-17(12-25-19)13-6-4-3-5-7-13/h2-7,9-12H,1,8H2
InChIKeyNCUOGGFOHTUXFH-UHFFFAOYSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 8840086) is 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is NCUOGGFOHTUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2OS/c1-2-8-23(18(24)14-9-15(20)11-16(21)10-14)19-22-17(12-25-19)13-6-4-3-5-7-13/h2-7,9-12H,1,8H2.
What are the key properties of 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 356.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 8840086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).