5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid

C9H13N5O3S — CID 6917312

IUPAC5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
SMILESCN1CCN(C(=O)Nc2snnc2C(=O)O)CC1
InChIInChI=1S/C9H13N5O3S/c1-13-2-4-14(5-3-13)9(17)10-7-6(8(15)16)11-12-18-7/h2-5H2,1H3,(H,10,17)(H,15,16)
InChIKeyLCLFTHSYGIIWGN-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.02
Rot. Bonds2

About 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid

5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid (PubChem CID 6917312) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
PubChem CID6917312
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid
SMILESCN1CCN(C(=O)Nc2snnc2C(=O)O)CC1
InChIInChI=1S/C9H13N5O3S/c1-13-2-4-14(5-3-13)9(17)10-7-6(8(15)16)11-12-18-7/h2-5H2,1H3,(H,10,17)(H,15,16)
InChIKeyLCLFTHSYGIIWGN-UHFFFAOYSA-N
XLogP0.02
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid (CID 6917312) is 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid is CN1CCN(C(=O)Nc2snnc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid?
The InChIKey is LCLFTHSYGIIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-13-2-4-14(5-3-13)9(17)10-7-6(8(15)16)11-12-18-7/h2-5H2,1H3,(H,10,17)(H,15,16).
What are the key properties of 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid?
5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxylic acid is sourced from PubChem (CID 6917312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).