N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide

C15H15FN2OS — CID 91942831

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C=Cc1cscn1
InChIInChI=1S/C15H15FN2OS/c1-11(12-3-5-13(16)6-4-12)18(2)15(19)8-7-14-9-20-10-17-14/h3-11H,1-2H3
InChIKeyMJSGUNGLZYBRHQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.52
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 91942831) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID91942831
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C=Cc1cscn1
InChIInChI=1S/C15H15FN2OS/c1-11(12-3-5-13(16)6-4-12)18(2)15(19)8-7-14-9-20-10-17-14/h3-11H,1-2H3
InChIKeyMJSGUNGLZYBRHQ-UHFFFAOYSA-N
XLogP3.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 18149479
N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 91942836
methyl 4-[(E)-3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxoprop-1-enyl]benzoate
CID 51267119
(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 56816677
(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 55502649
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[1-(3-nitrophenyl)ethyl]prop-2-enamide
CID 24532515
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylprop-2-enamide
CID 46647606
4-[(E)-3-methylbut-1-enyl]-1,3-thiazole
CID 59026994
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylprop-2-enamide
CID 46647636
2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 107337947

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 91942831) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide is CC(c1ccc(F)cc1)N(C)C(=O)C=Cc1cscn1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is MJSGUNGLZYBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-11(12-3-5-13(16)6-4-12)18(2)15(19)8-7-14-9-20-10-17-14/h3-11H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 91942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).