3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid

C9H7N3O3S2 — CID 65214815

IUPAC3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2csnn2)sc1C(=O)O
InChIInChI=1S/C9H7N3O3S2/c1-4-2-6(17-7(4)9(14)15)10-8(13)5-3-16-12-11-5/h2-3H,1H3,(H,10,13)(H,14,15)
InChIKeyPLTFIOFVMLSFPL-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid

3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 65214815) has the molecular formula C9H7N3O3S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
PubChem CID65214815
Molecular FormulaC9H7N3O3S2
Molecular Weight269.31 g/mol
Exact Mass268.99
IUPAC Name3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2csnn2)sc1C(=O)O
InChIInChI=1S/C9H7N3O3S2/c1-4-2-6(17-7(4)9(14)15)10-8(13)5-3-16-12-11-5/h2-3H,1H3,(H,10,13)(H,14,15)
InChIKeyPLTFIOFVMLSFPL-UHFFFAOYSA-N
XLogP1.86
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid (CID 65214815) is 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2csnn2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is PLTFIOFVMLSFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S2/c1-4-2-6(17-7(4)9(14)15)10-8(13)5-3-16-12-11-5/h2-3H,1H3,(H,10,13)(H,14,15).
What are the key properties of 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 269.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 65214815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).