2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate

C8H9NO2S2 — CID 59502608

IUPAC2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCSc1cscn1
InChIInChI=1S/C8H9NO2S2/c1-2-8(10)11-3-4-13-7-5-12-6-9-7/h2,5-6H,1,3-4H2
InChIKeyIUOZLACRYNTVCJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.96
Rot. Bonds5

About 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate

2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate (PubChem CID 59502608) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate
PubChem CID59502608
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCSc1cscn1
InChIInChI=1S/C8H9NO2S2/c1-2-8(10)11-3-4-13-7-5-12-6-9-7/h2,5-6H,1,3-4H2
InChIKeyIUOZLACRYNTVCJ-UHFFFAOYSA-N
XLogP1.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-ethylsulfanylphenyl)sulfanylphenyl]sulfanylethyl prop-2-enoate
CID 90919294
2-naphthalen-1-ylsulfanylethyl prop-2-enoate
CID 57077168
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-prop-2-enylsulfanylethyl prop-2-enoate
CID 14957377
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
CID 170529188
2-[[4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-yl]oxy]ethyl prop-2-enoate
CID 121373988
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate?
The IUPAC name of 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate (CID 59502608) is 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate is C=CC(=O)OCCSc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate?
The InChIKey is IUOZLACRYNTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S2/c1-2-8(10)11-3-4-13-7-5-12-6-9-7/h2,5-6H,1,3-4H2.
What are the key properties of 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate?
2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate has a molecular weight of 215.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylsulfanyl)ethyl prop-2-enoate is sourced from PubChem (CID 59502608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).