ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate

C10H10N2O3S2 — CID 80605668

IUPACethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(OCc2cccs2)s1
InChIInChI=1S/C10H10N2O3S2/c1-2-14-9(13)8-11-12-10(17-8)15-6-7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyKPRLTIDRJPQZPN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.36
Rot. Bonds5

About ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate

ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate (PubChem CID 80605668) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
PubChem CID80605668
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Nameethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(OCc2cccs2)s1
InChIInChI=1S/C10H10N2O3S2/c1-2-14-9(13)8-11-12-10(17-8)15-6-7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyKPRLTIDRJPQZPN-UHFFFAOYSA-N
XLogP2.36
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazole-2-carboxylate
CID 80604960
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
ethyl 5-(3-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612799
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl 5-(4-tert-butylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80610282
ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612155
ethyl 5-(3-propan-2-ylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80613132
ethyl 5-[2-[(E)-prop-1-enyl]phenoxy]-1,3,4-thiadiazole-2-carboxylate
CID 80605907
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 5-(2-methoxy-4-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612559
diethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3,4-dicarboxylate
CID 170871938

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate (CID 80605668) is ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(OCc2cccs2)s1.
What is the InChIKey of ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is KPRLTIDRJPQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-2-14-9(13)8-11-12-10(17-8)15-6-7-4-3-5-16-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 80605668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).