(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C23H29F3N2O2S — CID 142070091

IUPAC(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=C(CC)O/C(=C\C)C(C)C.Cc1cnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H11F3N2OS.C10H18O/c1-8-7-17-12(20-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16;1-6-9(5)11-10(7-2)8(3)4/h2-5,7H,6H2,1H3,(H,17,18,19);7-8H,5-6H2,1-4H3/b;10-7-
InChIKeyJDGPWEYAJSFSOR-QYCSVTBISA-N
MW454.56 g/mol
LogP7.14
Rot. Bonds7

About (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 142070091) has the molecular formula C23H29F3N2O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID142070091
Molecular FormulaC23H29F3N2O2S
Molecular Weight454.56 g/mol
Exact Mass454.19
IUPAC Name(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=C(CC)O/C(=C\C)C(C)C.Cc1cnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H11F3N2OS.C10H18O/c1-8-7-17-12(20-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16;1-6-9(5)11-10(7-2)8(3)4/h2-5,7H,6H2,1H3,(H,17,18,19);7-8H,5-6H2,1-4H3/b;10-7-
InChIKeyJDGPWEYAJSFSOR-QYCSVTBISA-N
XLogP7.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 142070091) is (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is C=C(CC)O/C(=C\C)C(C)C.Cc1cnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JDGPWEYAJSFSOR-QYCSVTBISA-N. The full InChI is InChI=1S/C13H11F3N2OS.C10H18O/c1-8-7-17-12(20-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16;1-6-9(5)11-10(7-2)8(3)4/h2-5,7H,6H2,1H3,(H,17,18,19);7-8H,5-6H2,1-4H3/b;10-7-.
What are the key properties of (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
(Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 454.56 g/mol, XLogP of 7.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-but-1-en-2-yloxy-4-methylpent-2-ene;N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 142070091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).