4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid

C12H13N3O2S — CID 63825381

IUPAC4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2cscn2)n1
InChIInChI=1S/C12H13N3O2S/c1-7-3-8(2)15-11(10(7)12(16)17)13-4-9-5-18-6-14-9/h3,5-6H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCHGRIBCWBBNTGZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.47
Rot. Bonds4

About 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid

4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 63825381) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID63825381
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2cscn2)n1
InChIInChI=1S/C12H13N3O2S/c1-7-3-8(2)15-11(10(7)12(16)17)13-4-9-5-18-6-14-9/h3,5-6H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCHGRIBCWBBNTGZ-UHFFFAOYSA-N
XLogP2.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid (CID 63825381) is 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCc2cscn2)n1.
What is the InChIKey of 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is CHGRIBCWBBNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-3-8(2)15-11(10(7)12(16)17)13-4-9-5-18-6-14-9/h3,5-6H,4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63825381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).