methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate

C11H9NO2S2 — CID 122136157

IUPACmethyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(/C=C/c2cccs2)s1
InChIInChI=1S/C11H9NO2S2/c1-14-11(13)9-7-12-10(16-9)5-4-8-3-2-6-15-8/h2-7H,1H3/b5-4+
InChIKeyARISIGYBVXHAEA-SNAWJCMRSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds3

About methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate

methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate (PubChem CID 122136157) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
PubChem CID122136157
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Namemethyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(/C=C/c2cccs2)s1
InChIInChI=1S/C11H9NO2S2/c1-14-11(13)9-7-12-10(16-9)5-4-8-3-2-6-15-8/h2-7H,1H3/b5-4+
InChIKeyARISIGYBVXHAEA-SNAWJCMRSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 71859102
methyl 2-(3-chloroprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169477395
(2S)-2-[3-[(E)-2-(5-methoxycarbonyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoic acid
CID 95156840
methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
CID 155479747
methyl 2-[(E)-2-(4-cyano-3-methoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylate
CID 119051361
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate
CID 44609079
methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
CID 162787640
methyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 14546239
N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
CID 75535793
2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 167875600
methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate
CID 142522893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate (CID 122136157) is methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(/C=C/c2cccs2)s1.
What is the InChIKey of methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is ARISIGYBVXHAEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-14-11(13)9-7-12-10(16-9)5-4-8-3-2-6-15-8/h2-7H,1H3/b5-4+.
What are the key properties of methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate?
methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 122136157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).