4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine

C12H12N2S — CID 178188914

IUPAC4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine
SMILESC/C(=C\c1ccccc1)c1csc(N)n1
InChIInChI=1S/C12H12N2S/c1-9(11-8-15-12(13)14-11)7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14)/b9-7+
InChIKeyUUQADWAACFJIDC-VQHVLOKHSA-N
MW216.31 g/mol
LogP3.29
Rot. Bonds2

About 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine

4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine (PubChem CID 178188914) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine
PubChem CID178188914
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine
SMILESC/C(=C\c1ccccc1)c1csc(N)n1
InChIInChI=1S/C12H12N2S/c1-9(11-8-15-12(13)14-11)7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14)/b9-7+
InChIKeyUUQADWAACFJIDC-VQHVLOKHSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine (CID 178188914) is 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine is C/C(=C\c1ccccc1)c1csc(N)n1.
What is the InChIKey of 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine?
The InChIKey is UUQADWAACFJIDC-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9(11-8-15-12(13)14-11)7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14)/b9-7+.
What are the key properties of 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine?
4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-phenylprop-1-en-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 178188914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).