4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine

C13H14N2OS — CID 77040002

IUPAC4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1C=Cc1csc(N)n1
InChIInChI=1S/C13H14N2OS/c1-9-3-6-12(16-2)10(7-9)4-5-11-8-17-13(14)15-11/h3-8H,1-2H3,(H2,14,15)
InChIKeyXYRISNCKZZYHRR-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.21
Rot. Bonds3

About 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine

4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040002) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040002
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1C=Cc1csc(N)n1
InChIInChI=1S/C13H14N2OS/c1-9-3-6-12(16-2)10(7-9)4-5-11-8-17-13(14)15-11/h3-8H,1-2H3,(H2,14,15)
InChIKeyXYRISNCKZZYHRR-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine (CID 77040002) is 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine is COc1ccc(C)cc1C=Cc1csc(N)n1.
What is the InChIKey of 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is XYRISNCKZZYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-3-6-12(16-2)10(7-9)4-5-11-8-17-13(14)15-11/h3-8H,1-2H3,(H2,14,15).
What are the key properties of 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 246.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-5-methylphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).