(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide

C17H19FN2OS — CID 164531435

IUPAC(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCCC(c1ccccc1)N(C)C(=O)/C(F)=C/c1nccs1
InChIInChI=1S/C17H19FN2OS/c1-3-7-15(13-8-5-4-6-9-13)20(2)17(21)14(18)12-16-19-10-11-22-16/h4-6,8-12,15H,3,7H2,1-2H3/b14-12-
InChIKeySTRRAJVDDAYMBZ-OWBHPGMISA-N
MW318.42 g/mol
LogP4.45
Rot. Bonds6

About (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide

(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 164531435) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID164531435
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCCC(c1ccccc1)N(C)C(=O)/C(F)=C/c1nccs1
InChIInChI=1S/C17H19FN2OS/c1-3-7-15(13-8-5-4-6-9-13)20(2)17(21)14(18)12-16-19-10-11-22-16/h4-6,8-12,15H,3,7H2,1-2H3/b14-12-
InChIKeySTRRAJVDDAYMBZ-OWBHPGMISA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide (CID 164531435) is (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide is CCCC(c1ccccc1)N(C)C(=O)/C(F)=C/c1nccs1.
What is the InChIKey of (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is STRRAJVDDAYMBZ-OWBHPGMISA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-3-7-15(13-8-5-4-6-9-13)20(2)17(21)14(18)12-16-19-10-11-22-16/h4-6,8-12,15H,3,7H2,1-2H3/b14-12-.
What are the key properties of (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide?
(Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-methyl-N-(1-phenylbutyl)-3-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 164531435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).