ethyl formate;5-thiophen-2-yl-1,3-thiazole

C10H11NO2S2 — CID 174933690

IUPACethyl formate;5-thiophen-2-yl-1,3-thiazole
SMILESCCOC=O.c1csc(-c2cncs2)c1
InChIInChI=1S/C7H5NS2.C3H6O2/c1-2-6(9-3-1)7-4-8-5-10-7;1-2-5-3-4/h1-5H;3H,2H2,1H3
InChIKeyWWDYROTXAAPZTG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.05
Rot. Bonds3

About ethyl formate;5-thiophen-2-yl-1,3-thiazole

ethyl formate;5-thiophen-2-yl-1,3-thiazole (PubChem CID 174933690) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is ethyl formate;5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethyl formate;5-thiophen-2-yl-1,3-thiazole
PubChem CID174933690
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Nameethyl formate;5-thiophen-2-yl-1,3-thiazole
SMILESCCOC=O.c1csc(-c2cncs2)c1
InChIInChI=1S/C7H5NS2.C3H6O2/c1-2-6(9-3-1)7-4-8-5-10-7;1-2-5-3-4/h1-5H;3H,2H2,1H3
InChIKeyWWDYROTXAAPZTG-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl formate;5-thiophen-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl formate;5-methyl-1,3-thiazole
CID 174932839
ethyl formate;1,3-thiazole
CID 161371484
ethyl formate;2-(1-phenylethenyl)thiophene
CID 143321952
5-(2-ethylphenyl)-1,3-thiazole
CID 67816581
triethoxy-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silane
CID 59664325
6-benzylthieno[3,2-c]pyridine;ethyl formate
CID 155233699
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
lithium;ethyl formate;hydroxide
CID 174914217
aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
CID 174349265
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621

Frequently Asked Questions

What is the IUPAC name of ethyl formate;5-thiophen-2-yl-1,3-thiazole?
The IUPAC name of ethyl formate;5-thiophen-2-yl-1,3-thiazole (CID 174933690) is ethyl formate;5-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for ethyl formate;5-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for ethyl formate;5-thiophen-2-yl-1,3-thiazole is CCOC=O.c1csc(-c2cncs2)c1.
What is the InChIKey of ethyl formate;5-thiophen-2-yl-1,3-thiazole?
The InChIKey is WWDYROTXAAPZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS2.C3H6O2/c1-2-6(9-3-1)7-4-8-5-10-7;1-2-5-3-4/h1-5H;3H,2H2,1H3.
What are the key properties of ethyl formate;5-thiophen-2-yl-1,3-thiazole?
ethyl formate;5-thiophen-2-yl-1,3-thiazole has a molecular weight of 241.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 174933690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).