4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid

C13H9N5O2S — CID 67365384

IUPAC4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncnc(Nc3ccsc3)n2)ccn1
InChIInChI=1S/C13H9N5O2S/c19-12(20)10-5-8(1-3-14-10)11-15-7-16-13(18-11)17-9-2-4-21-6-9/h1-7H,(H,19,20)(H,15,16,17,18)
InChIKeyRNKOVLIBJAIOGC-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.44
Rot. Bonds4

About 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid

4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid (PubChem CID 67365384) has the molecular formula C13H9N5O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid
PubChem CID67365384
Molecular FormulaC13H9N5O2S
Molecular Weight299.32 g/mol
Exact Mass299.05
IUPAC Name4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncnc(Nc3ccsc3)n2)ccn1
InChIInChI=1S/C13H9N5O2S/c19-12(20)10-5-8(1-3-14-10)11-15-7-16-13(18-11)17-9-2-4-21-6-9/h1-7H,(H,19,20)(H,15,16,17,18)
InChIKeyRNKOVLIBJAIOGC-UHFFFAOYSA-N
XLogP2.44
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid (CID 67365384) is 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ncnc(Nc3ccsc3)n2)ccn1.
What is the InChIKey of 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is RNKOVLIBJAIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c19-12(20)10-5-8(1-3-14-10)11-15-7-16-13(18-11)17-9-2-4-21-6-9/h1-7H,(H,19,20)(H,15,16,17,18).
What are the key properties of 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid?
4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 299.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophen-3-ylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67365384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).