(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide

C20H17FN2OS — CID 2177042

IUPAC(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H17FN2OS/c1-14-2-4-15(5-3-14)8-11-19(24)23-20-22-13-18(25-20)12-16-6-9-17(21)10-7-16/h2-11,13H,12H2,1H3,(H,22,23,24)/b11-8+
InChIKeyINHQTLFDJZVATE-DHZHZOJOSA-N
MW352.43 g/mol
LogP4.83
Rot. Bonds5

About (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 2177042) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID2177042
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H17FN2OS/c1-14-2-4-15(5-3-14)8-11-19(24)23-20-22-13-18(25-20)12-16-6-9-17(21)10-7-16/h2-11,13H,12H2,1H3,(H,22,23,24)/b11-8+
InChIKeyINHQTLFDJZVATE-DHZHZOJOSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 879028
(E)-3-(furan-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 726250
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 55432975
(E)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 16652477
(E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 18827705
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767973
(E)-2-cyano-3-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1190864
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
(E)-N-(5-benzyl-1,3-thiazol-2-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18827601

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide (CID 2177042) is (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is INHQTLFDJZVATE-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-14-2-4-15(5-3-14)8-11-19(24)23-20-22-13-18(25-20)12-16-6-9-17(21)10-7-16/h2-11,13H,12H2,1H3,(H,22,23,24)/b11-8+.
What are the key properties of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 2177042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).