6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid

C13H15N5O2S — CID 122054013

IUPAC6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nsc(N2CCN(c3cccc(C(=O)O)n3)CC2)n1
InChIInChI=1S/C13H15N5O2S/c1-9-14-13(21-16-9)18-7-5-17(6-8-18)11-4-2-3-10(15-11)12(19)20/h2-4H,5-8H2,1H3,(H,19,20)
InChIKeyBWDAWOJVKHWARW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.27
Rot. Bonds3

About 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054013) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054013
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nsc(N2CCN(c3cccc(C(=O)O)n3)CC2)n1
InChIInChI=1S/C13H15N5O2S/c1-9-14-13(21-16-9)18-7-5-17(6-8-18)11-4-2-3-10(15-11)12(19)20/h2-4H,5-8H2,1H3,(H,19,20)
InChIKeyBWDAWOJVKHWARW-UHFFFAOYSA-N
XLogP1.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122054013) is 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid is Cc1nsc(N2CCN(c3cccc(C(=O)O)n3)CC2)n1.
What is the InChIKey of 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is BWDAWOJVKHWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-9-14-13(21-16-9)18-7-5-17(6-8-18)11-4-2-3-10(15-11)12(19)20/h2-4H,5-8H2,1H3,(H,19,20).
What are the key properties of 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).