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

C12H13N5O3S — CID 65204891

IUPAC3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H13N5O3S/c1-12(2,3)8-7(21-17-16-8)10(18)15-9-6(11(19)20)13-4-5-14-9/h4-5H,1-3H3,(H,19,20)(H,14,15,18)
InChIKeyKFDRTNPBIWRATM-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.58
Rot. Bonds3

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

3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 65204891) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID65204891
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C12H13N5O3S/c1-12(2,3)8-7(21-17-16-8)10(18)15-9-6(11(19)20)13-4-5-14-9/h4-5H,1-3H3,(H,19,20)(H,14,15,18)
InChIKeyKFDRTNPBIWRATM-UHFFFAOYSA-N
XLogP1.58
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid (CID 65204891) is 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is CC(C)(C)c1nnsc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is KFDRTNPBIWRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-12(2,3)8-7(21-17-16-8)10(18)15-9-6(11(19)20)13-4-5-14-9/h4-5H,1-3H3,(H,19,20)(H,14,15,18).
What are the key properties of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 307.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65204891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).