2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

C9H7N3O2S — CID 96607511

IUPAC2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESNc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
InChIKeyFAOZNCYQMCTIBT-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.49
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 96607511) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
PubChem CID96607511
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESNc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
InChIKeyFAOZNCYQMCTIBT-UHFFFAOYSA-N
XLogP1.49
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (CID 96607511) is 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is Nc1nc(-c2cc(C(=O)O)ccn2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is FAOZNCYQMCTIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 96607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).