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

C14H13FN2OS — CID 27007322

IUPAC(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2OS/c1-2-16-13(18)8-7-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H,16,18)/b8-7+
InChIKeyVEMSPZSQCCTCRR-BQYQJAHWSA-N
MW276.34 g/mol
LogP3.10
Rot. Bonds4

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

(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide (PubChem CID 27007322) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
PubChem CID27007322
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2OS/c1-2-16-13(18)8-7-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H,16,18)/b8-7+
InChIKeyVEMSPZSQCCTCRR-BQYQJAHWSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.10
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

(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 24524728
2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide
CID 24531755
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(4-methyl-3-nitrophenyl)prop-2-enamide
CID 24531576
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 17441393
N-[4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
CID 72684489
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylprop-2-en-1-amine
CID 79347924
(Z)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 98375628
(E)-3-(3,4-dimethoxyphenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 7522136
methyl (E)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 17429631
(E)-N-[(3-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylprop-2-enamide
CID 17492499
ethyl (Z)-2-cyano-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 51111224
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide (CID 27007322) is (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide is CCNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
The InChIKey is VEMSPZSQCCTCRR-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-16-13(18)8-7-12-9-19-14(17-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H,16,18)/b8-7+.
What are the key properties of (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide?
(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide is sourced from PubChem (CID 27007322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).