4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine

C13H14N2S — CID 77040042

IUPAC4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C=Cc2csc(N)n2)cc1C
InChIInChI=1S/C13H14N2S/c1-9-3-4-11(7-10(9)2)5-6-12-8-16-13(14)15-12/h3-8H,1-2H3,(H2,14,15)
InChIKeyIEZXGQYJGVPANR-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.51
Rot. Bonds2

About 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine

4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040042) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040042
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C=Cc2csc(N)n2)cc1C
InChIInChI=1S/C13H14N2S/c1-9-3-4-11(7-10(9)2)5-6-12-8-16-13(14)15-12/h3-8H,1-2H3,(H2,14,15)
InChIKeyIEZXGQYJGVPANR-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine (CID 77040042) is 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine is Cc1ccc(C=Cc2csc(N)n2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is IEZXGQYJGVPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-3-4-11(7-10(9)2)5-6-12-8-16-13(14)15-12/h3-8H,1-2H3,(H2,14,15).
What are the key properties of 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).