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

C14H15N3O4S — CID 665316

IUPACethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C14H15N3O4S/c1-3-21-12(18)8-11-16-17-14(22-11)15-13(19)9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17,19)
InChIKeyJEWDNDACCOHSDP-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.90
Rot. Bonds6

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

ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 665316) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
PubChem CID665316
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Nameethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C14H15N3O4S/c1-3-21-12(18)8-11-16-17-14(22-11)15-13(19)9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17,19)
InChIKeyJEWDNDACCOHSDP-UHFFFAOYSA-N
XLogP1.90
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
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
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
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (CID 665316) is ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1.
What is the InChIKey of ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is JEWDNDACCOHSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-21-12(18)8-11-16-17-14(22-11)15-13(19)9-6-4-5-7-10(9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17,19).
What are the key properties of ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 321.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 665316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).