(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide

C14H17FN2OS — CID 143454822

IUPAC(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
SMILESC=C/C(=C\C(F)=C/C)C(=O)NCCc1cnc(C)s1
InChIInChI=1S/C14H17FN2OS/c1-4-11(8-12(15)5-2)14(18)16-7-6-13-9-17-10(3)19-13/h4-5,8-9H,1,6-7H2,2-3H3,(H,16,18)/b11-8+,12-5+
InChIKeyUTTRYBHNYITYFJ-OEBNHILSSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds6

About (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide

(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide (PubChem CID 143454822) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
PubChem CID143454822
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
SMILESC=C/C(=C\C(F)=C/C)C(=O)NCCc1cnc(C)s1
InChIInChI=1S/C14H17FN2OS/c1-4-11(8-12(15)5-2)14(18)16-7-6-13-9-17-10(3)19-13/h4-5,8-9H,1,6-7H2,2-3H3,(H,16,18)/b11-8+,12-5+
InChIKeyUTTRYBHNYITYFJ-OEBNHILSSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75389323
3-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 113876886
N-(1-(2-(Trifluoromethyl)thiazol-5-yl)ethyl)acrylamide
CID 137934785
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138026456
(2E,4Z)-6-[2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1,3-thiazol-5-yl]-N,2-dimethylhepta-2,4,6-trienamide
CID 144304118
2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide
CID 110717476
4-Methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one
CID 143483106
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-5-yl)acetamide
CID 176997903
N-ethyl-2-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide;molecular hydrogen
CID 176998106
N-ethyl-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 176998294
2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide
CID 177014050
3-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyridin-2-one
CID 178687090

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide (CID 143454822) is (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide is C=C/C(=C\C(F)=C/C)C(=O)NCCc1cnc(C)s1.
What is the InChIKey of (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide?
The InChIKey is UTTRYBHNYITYFJ-OEBNHILSSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-4-11(8-12(15)5-2)14(18)16-7-6-13-9-17-10(3)19-13/h4-5,8-9H,1,6-7H2,2-3H3,(H,16,18)/b11-8+,12-5+.
What are the key properties of (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide?
(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide has a molecular weight of 280.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 143454822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).