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

C10H9N3O2S — CID 81244868

IUPAC4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1cscn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-4-11-2-1-9(8)12-3-7-5-16-6-13-7/h1-2,4-6H,3H2,(H,11,12)(H,14,15)
InChIKeyHQDPUHWLONIFAO-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.85
Rot. Bonds4

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

4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81244868) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81244868
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1cscn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-4-11-2-1-9(8)12-3-7-5-16-6-13-7/h1-2,4-6H,3H2,(H,11,12)(H,14,15)
InChIKeyHQDPUHWLONIFAO-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

5-bromo-2-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 114895801
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
4-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244388
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516563
3-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 105072187
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244300
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
6-N-(1,3-thiazol-4-ylmethyl)isoquinoline-5,6-diamine
CID 106948104
5-amino-2-fluoro-4-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 113394261

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid (CID 81244868) is 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCc1cscn1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is HQDPUHWLONIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(15)8-4-11-2-1-9(8)12-3-7-5-16-6-13-7/h1-2,4-6H,3H2,(H,11,12)(H,14,15).
What are the key properties of 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid?
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-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 4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).