ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate

C15H17N3O4S — CID 2164999

IUPACethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)c2ccccc2OCC)s1
InChIInChI=1S/C15H17N3O4S/c1-3-21-11-8-6-5-7-10(11)14(20)16-15-18-17-12(23-15)9-13(19)22-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,18,20)
InChIKeyCLOGBHGPIOKNIF-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate

ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 2164999) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
PubChem CID2164999
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)c2ccccc2OCC)s1
InChIInChI=1S/C15H17N3O4S/c1-3-21-11-8-6-5-7-10(11)14(20)16-15-18-17-12(23-15)9-13(19)22-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,18,20)
InChIKeyCLOGBHGPIOKNIF-UHFFFAOYSA-N
XLogP2.29
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate 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

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1094114
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 695203
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (CID 2164999) is ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OCC)s1.
What is the InChIKey of ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is CLOGBHGPIOKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-21-11-8-6-5-7-10(11)14(20)16-15-18-17-12(23-15)9-13(19)22-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,18,20).
What are the key properties of ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 335.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 2164999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).