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

C15H13N3O2S2 — CID 878458

IUPAC3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyKHEMGEZOIRUKFO-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.92
Rot. Bonds5

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

3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 878458) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID878458
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyKHEMGEZOIRUKFO-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
N-(5-((4-fluorophenoxy)methyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665376
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809029
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
3,4-dimethoxy-N-[5-(thien-2-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1272394
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451530
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 3314184
3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 743416

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 878458) is 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1.
What is the InChIKey of 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KHEMGEZOIRUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19).
What are the key properties of 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 878458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).