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

C14H11N3O2S2 — CID 3212603

IUPAC4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyHOQITGNXLUTLNE-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.53
Rot. Bonds4

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

4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 3212603) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID3212603
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyHOQITGNXLUTLNE-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
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
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)-4-methoxybenzamide
CID 745396
2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451530
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
(4-methoxyphenyl)-N-{5-[2-(2-{5-[(4-methoxyphenyl)carbonylamino](1,3,4-thiadia zol-2-yl)}ethylthio)ethyl](1,3,4-thiadiazol-2-yl)}carboxamide
CID 3100995
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 695204
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 754071

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 3212603) is 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HOQITGNXLUTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-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 4-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 3212603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).