2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid

C12H12ClN3O2S — CID 61480613

IUPAC2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)c1csc(Nc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-6(2)8-5-19-12(14-8)16-10-4-7(11(17)18)3-9(13)15-10/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyCRMYDZYQVNSLEV-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid

2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 61480613) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID61480613
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)c1csc(Nc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-6(2)8-5-19-12(14-8)16-10-4-7(11(17)18)3-9(13)15-10/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyCRMYDZYQVNSLEV-UHFFFAOYSA-N
XLogP3.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid (CID 61480613) is 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid is CC(C)c1csc(Nc2cc(C(=O)O)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is CRMYDZYQVNSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-6(2)8-5-19-12(14-8)16-10-4-7(11(17)18)3-9(13)15-10/h3-6H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 297.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61480613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).