5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid

C8H12N4O2S — CID 96601990

IUPAC5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid
SMILESCN1CCN(c2snnc2C(=O)O)CC1
InChIInChI=1S/C8H12N4O2S/c1-11-2-4-12(5-3-11)7-6(8(13)14)9-10-15-7/h2-5H2,1H3,(H,13,14)
InChIKeyRSNGDTUXQKDIHF-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.01
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid

5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid (PubChem CID 96601990) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid
PubChem CID96601990
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid
SMILESCN1CCN(c2snnc2C(=O)O)CC1
InChIInChI=1S/C8H12N4O2S/c1-11-2-4-12(5-3-11)7-6(8(13)14)9-10-15-7/h2-5H2,1H3,(H,13,14)
InChIKeyRSNGDTUXQKDIHF-UHFFFAOYSA-N
XLogP-0.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid (CID 96601990) is 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid is CN1CCN(c2snnc2C(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid?
The InChIKey is RSNGDTUXQKDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-11-2-4-12(5-3-11)7-6(8(13)14)9-10-15-7/h2-5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid?
5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid has a molecular weight of 228.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 96601990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).