ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate

C11H10N2O3S — CID 135819069

IUPACethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1-c1ccc(O)cc1
InChIInChI=1S/C11H10N2O3S/c1-2-16-11(15)9-10(17-13-12-9)7-3-5-8(14)6-4-7/h3-6,14H,2H2,1H3
InChIKeyYIUNCPZKPJYSFD-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.09
Rot. Bonds3

About ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate

ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate (PubChem CID 135819069) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
PubChem CID135819069
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Nameethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1-c1ccc(O)cc1
InChIInChI=1S/C11H10N2O3S/c1-2-16-11(15)9-10(17-13-12-9)7-3-5-8(14)6-4-7/h3-6,14H,2H2,1H3
InChIKeyYIUNCPZKPJYSFD-UHFFFAOYSA-N
XLogP2.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
methyl 5-pyridin-4-ylthiadiazole-4-carboxylate
CID 154673837
ethyl 2-(4-hydroxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 136932103
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 5-(benzotriazol-1-yl)thiadiazole-4-carboxylate
CID 1499204
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 5-[4-(trifluoromethyl)phenyl]sulfanylthiadiazole-4-carboxylate
CID 2774412
ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237695
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
CID 71689865
ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate
CID 1499132
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate (CID 135819069) is ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1-c1ccc(O)cc1.
What is the InChIKey of ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate?
The InChIKey is YIUNCPZKPJYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-2-16-11(15)9-10(17-13-12-9)7-3-5-8(14)6-4-7/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate?
ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate is sourced from PubChem (CID 135819069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).