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

C10H9N3O2S — CID 114288702

IUPAC3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cscn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-1-2-11-4-9(8)12-3-7-5-16-6-13-7/h1-2,4-6,12H,3H2,(H,14,15)
InChIKeyPQUWXOGWGNTLLP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.85
Rot. Bonds4

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

3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 114288702) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID114288702
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cscn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-1-2-11-4-9(8)12-3-7-5-16-6-13-7/h1-2,4-6,12H,3H2,(H,14,15)
InChIKeyPQUWXOGWGNTLLP-UHFFFAOYSA-N
XLogP1.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 214841
3-{[(5-Methylthiophen-2-yl)methyl]amino}pyridine-4-carboxylic acid
CID 77106317
3-[(4-Methylthiophen-2-Yl)methylamino]pyridine-4-Carboxylic Acid
CID 114286469
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
3-(Thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
CID 89825587
3-[(3-Methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 89825693
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489
3-(Thiophen-2-ylmethylamino)pyridine-4-carboxylic acid
CID 81750714
2-(1,3-Thiazol-4-yl)pyridine-4-carboxylic acid
CID 96617507
2-(2-Methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 96608360
3-(Pyridine-4-amido)thiophene-2-carboxylic acid
CID 16778444
[1,3]Thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 21873699

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid (CID 114288702) is 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is PQUWXOGWGNTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(15)8-1-2-11-4-9(8)12-3-7-5-16-6-13-7/h1-2,4-6,12H,3H2,(H,14,15).
What are the key properties of 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid?
3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).