3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H19N3O4S — CID 784189

IUPAC3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nncs2)cc(OCC)c1OCC
InChIInChI=1S/C15H19N3O4S/c1-4-20-11-7-10(14(19)17-15-18-16-9-23-15)8-12(21-5-2)13(11)22-6-3/h7-9H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyMMFWHJOXBGRWKE-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.99
Rot. Bonds8

About 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 784189) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID784189
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nncs2)cc(OCC)c1OCC
InChIInChI=1S/C15H19N3O4S/c1-4-20-11-7-10(14(19)17-15-18-16-9-23-15)8-12(21-5-2)13(11)22-6-3/h7-9H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyMMFWHJOXBGRWKE-UHFFFAOYSA-N
XLogP2.99
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
3-methoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707003
3,4-dimethoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707004
3,4,5-trimethoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707005
N-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 118707007
3,4,5-trimethoxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 394900
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 665378
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 821625
3,4-diethoxy-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 847027
3,4,5-trimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077835
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1078875
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3155156

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 784189) is 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nncs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MMFWHJOXBGRWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-20-11-7-10(14(19)17-15-18-16-9-23-15)8-12(21-5-2)13(11)22-6-3/h7-9H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 337.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 784189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).