3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid

C11H11N5O3S — CID 65205652

IUPAC3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3S/c1-2-3-6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-4-5-13-9/h4-5H,2-3H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyZSEXQJKPQRFKMN-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.23
Rot. Bonds5

About 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 65205652) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID65205652
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCCc1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3S/c1-2-3-6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-4-5-13-9/h4-5H,2-3H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyZSEXQJKPQRFKMN-UHFFFAOYSA-N
XLogP1.23
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (CID 65205652) is 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is CCCc1nnsc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZSEXQJKPQRFKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-2-3-6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-4-5-13-9/h4-5H,2-3H2,1H3,(H,18,19)(H,13,14,17).
What are the key properties of 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65205652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).