5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one

C7H6N2O2S2 — CID 130588166

IUPAC5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)s2)s1
InChIInChI=1S/C7H6N2O2S2/c1-11-5-3-2-4(12-5)6-8-9-7(10)13-6/h2-3H,1H3,(H,9,10)
InChIKeyAMKVMNVJUYTYIY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.57
Rot. Bonds2

About 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one

5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 130588166) has the molecular formula C7H6N2O2S2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one
PubChem CID130588166
Molecular FormulaC7H6N2O2S2
Molecular Weight214.27 g/mol
Exact Mass213.99
IUPAC Name5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)s2)s1
InChIInChI=1S/C7H6N2O2S2/c1-11-5-3-2-4(12-5)6-8-9-7(10)13-6/h2-3H,1H3,(H,9,10)
InChIKeyAMKVMNVJUYTYIY-UHFFFAOYSA-N
XLogP1.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 18935415
5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 81121442
5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 81128699
5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
CID 81128838
5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 130588174
[(E)-(5-methoxythiophen-2-yl)methylideneamino]urea
CID 133668274

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one (CID 130588166) is 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one is COc1ccc(-c2n[nH]c(=O)s2)s1.
What is the InChIKey of 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is AMKVMNVJUYTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S2/c1-11-5-3-2-4(12-5)6-8-9-7(10)13-6/h2-3H,1H3,(H,9,10).
What are the key properties of 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one?
5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 130588166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).