4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid

C8H9N3O3S2 — CID 78980605

IUPAC4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1csnn1
InChIInChI=1S/C8H9N3O3S2/c12-7(5-3-16-10-9-5)11-1-2-15-4-6(11)8(13)14/h3,6H,1-2,4H2,(H,13,14)
InChIKeyYJOZFBNYEZFMSQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.18
Rot. Bonds2

About 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid

4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 78980605) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID78980605
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)c1csnn1
InChIInChI=1S/C8H9N3O3S2/c12-7(5-3-16-10-9-5)11-1-2-15-4-6(11)8(13)14/h3,6H,1-2,4H2,(H,13,14)
InChIKeyYJOZFBNYEZFMSQ-UHFFFAOYSA-N
XLogP0.18
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid (CID 78980605) is 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)c1csnn1.
What is the InChIKey of 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is YJOZFBNYEZFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c12-7(5-3-16-10-9-5)11-1-2-15-4-6(11)8(13)14/h3,6H,1-2,4H2,(H,13,14).
What are the key properties of 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid?
4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazole-4-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 78980605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).