(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine

C15H18N2OS — CID 176524193

IUPAC(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine
SMILESC=C=C(OC)/C(=C\C)c1cnc(/C(=C\N)C(=C)C)s1
InChIInChI=1S/C15H18N2OS/c1-6-11(13(7-2)18-5)14-9-17-15(19-14)12(8-16)10(3)4/h6,8-9H,2-3,16H2,1,4-5H3/b11-6+,12-8-
InChIKeyNRHPAOVIHVZOHI-SZJFEJKCSA-N
MW274.39 g/mol
LogP3.74
Rot. Bonds5

About (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine

(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine (PubChem CID 176524193) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine
PubChem CID176524193
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine
SMILESC=C=C(OC)/C(=C\C)c1cnc(/C(=C\N)C(=C)C)s1
InChIInChI=1S/C15H18N2OS/c1-6-11(13(7-2)18-5)14-9-17-15(19-14)12(8-16)10(3)4/h6,8-9H,2-3,16H2,1,4-5H3/b11-6+,12-8-
InChIKeyNRHPAOVIHVZOHI-SZJFEJKCSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine with MolForge

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Related Compounds

5-(7-Methoxy-3-methylcyclohepta-1,3,6-trien-1-yl)-1,3-thiazole
CID 143483240
[2-[(2E,4Z)-6-methoxyhepta-2,4,6-trien-3-yl]-1,3-thiazol-5-yl]methanamine
CID 145277518
ethane;5-[(2E,4E)-5-methoxyhepta-2,4,6-trien-3-yl]-2-methyl-1,3-thiazole
CID 145557461
5-[(2E,4E)-5-methoxyhepta-2,4,6-trien-3-yl]-2-methyl-1,3-thiazole
CID 145557462

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine (CID 176524193) is (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine is C=C=C(OC)/C(=C\C)c1cnc(/C(=C\N)C(=C)C)s1.
What is the InChIKey of (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine?
The InChIKey is NRHPAOVIHVZOHI-SZJFEJKCSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-6-11(13(7-2)18-5)14-9-17-15(19-14)12(8-16)10(3)4/h6,8-9H,2-3,16H2,1,4-5H3/b11-6+,12-8-.
What are the key properties of (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine?
(1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[5-[(2E)-4-methoxyhexa-2,4,5-trien-3-yl]-1,3-thiazol-2-yl]-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 176524193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).