methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate

C14H16N2O4S — CID 166373177

IUPACmethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate
SMILESCCc1nnc(COc2cc(C(=O)OC)ccc2OC)s1
InChIInChI=1S/C14H16N2O4S/c1-4-12-15-16-13(21-12)8-20-11-7-9(14(17)19-3)5-6-10(11)18-2/h5-7H,4,8H2,1-3H3
InChIKeyGTGVQJBKVXYLRQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.47
Rot. Bonds6

About methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate

methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate (PubChem CID 166373177) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate
PubChem CID166373177
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate
SMILESCCc1nnc(COc2cc(C(=O)OC)ccc2OC)s1
InChIInChI=1S/C14H16N2O4S/c1-4-12-15-16-13(21-12)8-20-11-7-9(14(17)19-3)5-6-10(11)18-2/h5-7H,4,8H2,1-3H3
InChIKeyGTGVQJBKVXYLRQ-UHFFFAOYSA-N
XLogP2.47
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate 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

methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 4-methoxy-3-(3-methylbut-2-enoxy)benzoate
CID 42624942
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
3,4-dimethoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1402200
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
methyl 4-(4H-imidazol-2-ylmethoxy)-3-methoxybenzoate
CID 118332629
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate?
The IUPAC name of methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate (CID 166373177) is methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate is CCc1nnc(COc2cc(C(=O)OC)ccc2OC)s1.
What is the InChIKey of methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate?
The InChIKey is GTGVQJBKVXYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-12-15-16-13(21-12)8-20-11-7-9(14(17)19-3)5-6-10(11)18-2/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate?
methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate has a molecular weight of 308.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 166373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).