[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate

C14H13NO2S — CID 102529489

IUPAC[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H13NO2S/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+
InChIKeyBGHBEZBQAKSUHW-BQYQJAHWSA-N
MW259.33 g/mol
LogP3.38
Rot. Bonds4

About [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate

[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate (PubChem CID 102529489) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate
PubChem CID102529489
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H13NO2S/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+
InChIKeyBGHBEZBQAKSUHW-BQYQJAHWSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485
(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
CID 3675548
2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
CID 6447756
[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl acetate
CID 13229295
[2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]methyl acetate
CID 46201506
acetic acid;stilbene
CID 172803728
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-pyridin-4-ylprop-2-enoate
CID 167802219
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7793722
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 8603586
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate (CID 102529489) is [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1csc(/C=C/c2ccccc2)n1.
What is the InChIKey of [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is BGHBEZBQAKSUHW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+.
What are the key properties of [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate?
[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 259.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 102529489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).