(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide

C19H23N3OS — CID 129090931

IUPAC(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide
SMILESC=C/N=C(\C=C(/C)C#CCC)C(=O)NC(C)c1ncc(C(=C)C)s1
InChIInChI=1S/C19H23N3OS/c1-7-9-10-14(5)11-16(20-8-2)18(23)22-15(6)19-21-12-17(24-19)13(3)4/h8,11-12,15H,2-3,7H2,1,4-6H3,(H,22,23)/b14-11+,20-16+
InChIKeyWZPLYEFLYCADSN-LNNYTJQRSA-N
MW341.48 g/mol
LogP4.30
Rot. Bonds6

About (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide

(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide (PubChem CID 129090931) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide.

Molecular Properties

Compound Name(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide
PubChem CID129090931
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide
SMILESC=C/N=C(\C=C(/C)C#CCC)C(=O)NC(C)c1ncc(C(=C)C)s1
InChIInChI=1S/C19H23N3OS/c1-7-9-10-14(5)11-16(20-8-2)18(23)22-15(6)19-21-12-17(24-19)13(3)4/h8,11-12,15H,2-3,7H2,1,4-6H3,(H,22,23)/b14-11+,20-16+
InChIKeyWZPLYEFLYCADSN-LNNYTJQRSA-N
XLogP4.30
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide?
The IUPAC name of (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide (CID 129090931) is (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide.
What is the SMILES notation for (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide?
The canonical SMILES for (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide is C=C/N=C(\C=C(/C)C#CCC)C(=O)NC(C)c1ncc(C(=C)C)s1.
What is the InChIKey of (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide?
The InChIKey is WZPLYEFLYCADSN-LNNYTJQRSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-7-9-10-14(5)11-16(20-8-2)18(23)22-15(6)19-21-12-17(24-19)13(3)4/h8,11-12,15H,2-3,7H2,1,4-6H3,(H,22,23)/b14-11+,20-16+.
What are the key properties of (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide?
(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide has a molecular weight of 341.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide is sourced from PubChem (CID 129090931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).