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

C10H10N4O2S2 — CID 63736937

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESCN(C)c1nnc(Sc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C10H10N4O2S2/c1-14(2)9-12-13-10(18-9)17-6-3-4-11-7(5-6)8(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyXPUUOBANDHCDRC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.85
Rot. Bonds4

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid (PubChem CID 63736937) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
PubChem CID63736937
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESCN(C)c1nnc(Sc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C10H10N4O2S2/c1-14(2)9-12-13-10(18-9)17-6-3-4-11-7(5-6)8(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyXPUUOBANDHCDRC-UHFFFAOYSA-N
XLogP1.85
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid (CID 63736937) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid is CN(C)c1nnc(Sc2ccnc(C(=O)O)c2)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is XPUUOBANDHCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-14(2)9-12-13-10(18-9)17-6-3-4-11-7(5-6)8(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 282.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63736937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).