5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid

C10H9N3O2S — CID 64629673

IUPAC5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCc1ccccn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-9(16-6-13-8)12-5-7-3-1-2-4-11-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyCZZDZOFQVRBJBD-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.85
Rot. Bonds4

About 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid

5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629673) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629673
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCc1ccccn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-9(16-6-13-8)12-5-7-3-1-2-4-11-7/h1-4,6,12H,5H2,(H,14,15)
InChIKeyCZZDZOFQVRBJBD-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

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CID 4159002
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
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5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106383569
4-[(2-pyridin-2-ylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103233886
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
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3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid (CID 64629673) is 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCc1ccccn1.
What is the InChIKey of 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CZZDZOFQVRBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(15)8-9(16-6-13-8)12-5-7-3-1-2-4-11-7/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
5-(pyridin-2-ylmethylamino)-1,3-thiazole-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 5-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).