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

C13H14N4O3S — CID 65205295

IUPAC2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H14N4O3S/c1-13(2,3)9-8(21-17-16-9)11(18)15-10-7(12(19)20)5-4-6-14-10/h4-6H,1-3H3,(H,19,20)(H,14,15,18)
InChIKeyWQSZILYBYASQBL-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.18
Rot. Bonds3

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

2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 65205295) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID65205295
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H14N4O3S/c1-13(2,3)9-8(21-17-16-9)11(18)15-10-7(12(19)20)5-4-6-14-10/h4-6H,1-3H3,(H,19,20)(H,14,15,18)
InChIKeyWQSZILYBYASQBL-UHFFFAOYSA-N
XLogP2.18
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204891
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid (CID 65205295) is 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid is CC(C)(C)c1nnsc1C(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WQSZILYBYASQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-13(2,3)9-8(21-17-16-9)11(18)15-10-7(12(19)20)5-4-6-14-10/h4-6H,1-3H3,(H,19,20)(H,14,15,18).
What are the key properties of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 65205295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).