5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid

C10H11N5O2S2 — CID 81440111

IUPAC5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
SMILESCN(C)c1nnc(Sc2ncc(C(=O)O)cc2N)s1
InChIInChI=1S/C10H11N5O2S2/c1-15(2)9-13-14-10(19-9)18-7-6(11)3-5(4-12-7)8(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyXLXTXYBQHNBTAH-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.43
Rot. Bonds4

About 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid

5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid (PubChem CID 81440111) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
PubChem CID81440111
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
SMILESCN(C)c1nnc(Sc2ncc(C(=O)O)cc2N)s1
InChIInChI=1S/C10H11N5O2S2/c1-15(2)9-13-14-10(19-9)18-7-6(11)3-5(4-12-7)8(16)17/h3-4H,11H2,1-2H3,(H,16,17)
InChIKeyXLXTXYBQHNBTAH-UHFFFAOYSA-N
XLogP1.43
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid (CID 81440111) is 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid is CN(C)c1nnc(Sc2ncc(C(=O)O)cc2N)s1.
What is the InChIKey of 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid?
The InChIKey is XLXTXYBQHNBTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-15(2)9-13-14-10(19-9)18-7-6(11)3-5(4-12-7)8(16)17/h3-4H,11H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid?
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid has a molecular weight of 297.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81440111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).