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

C14H11N3O2S2 — CID 1451529

IUPAC3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyVQHFPAOGLORTKH-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.53
Rot. Bonds4

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

3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1451529) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1451529
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyVQHFPAOGLORTKH-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.53
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
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
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-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809029
3,4-dimethoxy-N-[5-(thien-2-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1272394
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 648470
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-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1451529) is 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1.
What is the InChIKey of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VQHFPAOGLORTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-10-5-2-4-9(8-10)12(18)15-14-17-16-13(21-14)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 317.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1451529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).