5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid

C8H6N2O3S2 — CID 60703842

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid
SMILESCc1nnc(Sc2ccc(C(=O)O)o2)s1
InChIInChI=1S/C8H6N2O3S2/c1-4-9-10-8(14-4)15-6-3-2-5(13-6)7(11)12/h2-3H,1H3,(H,11,12)
InChIKeyYFMZAQFKXRZYGG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.29
Rot. Bonds3

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid

5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid (PubChem CID 60703842) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid
PubChem CID60703842
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid
SMILESCc1nnc(Sc2ccc(C(=O)O)o2)s1
InChIInChI=1S/C8H6N2O3S2/c1-4-9-10-8(14-4)15-6-3-2-5(13-6)7(11)12/h2-3H,1H3,(H,11,12)
InChIKeyYFMZAQFKXRZYGG-UHFFFAOYSA-N
XLogP2.29
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine
CID 170869051
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzoic acid
CID 62701448
5-(4-tert-butylphenyl)sulfanylfuran-2-carboxylic acid
CID 63538044
3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382795
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid
CID 63942166
5-pyridin-2-ylsulfanylfuran-2-carboxylic acid
CID 676679
5-[(5-tert-butyl-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 114011525
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 63942215
S-(5-methyl-1,3,4-thiadiazol-2-yl) 2-phenylethanethioate
CID 13288303
5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid
CID 64828686
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid
CID 105368993

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid (CID 60703842) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid is Cc1nnc(Sc2ccc(C(=O)O)o2)s1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid?
The InChIKey is YFMZAQFKXRZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c1-4-9-10-8(14-4)15-6-3-2-5(13-6)7(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 60703842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).