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

C11H11N5O3S — CID 65204652

IUPAC3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3S/c1-5(2)6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-3-4-13-9/h3-5H,1-2H3,(H,18,19)(H,13,14,17)
InChIKeyBGGZSWIHVQUESD-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.40
Rot. Bonds4

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

3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 65204652) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID65204652
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H11N5O3S/c1-5(2)6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-3-4-13-9/h3-5H,1-2H3,(H,18,19)(H,13,14,17)
InChIKeyBGGZSWIHVQUESD-UHFFFAOYSA-N
XLogP1.40
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (CID 65204652) is 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is CC(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is BGGZSWIHVQUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-5(2)6-8(20-16-15-6)10(17)14-9-7(11(18)19)12-3-4-13-9/h3-5H,1-2H3,(H,18,19)(H,13,14,17).
What are the key properties of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65204652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).