2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

C10H6N4O2S — CID 155598537

IUPAC2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cncs2)nc2cc[nH]c12
InChIInChI=1S/C10H6N4O2S/c15-10(16)8-7-5(1-2-12-7)13-9(14-8)6-3-11-4-17-6/h1-4,12H,(H,15,16)
InChIKeyZLQNPRSRGRTDES-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.78
Rot. Bonds2

About 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 155598537) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID155598537
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cncs2)nc2cc[nH]c12
InChIInChI=1S/C10H6N4O2S/c15-10(16)8-7-5(1-2-12-7)13-9(14-8)6-3-11-4-17-6/h1-4,12H,(H,15,16)
InChIKeyZLQNPRSRGRTDES-UHFFFAOYSA-N
XLogP1.78
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (CID 155598537) is 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cncs2)nc2cc[nH]c12.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is ZLQNPRSRGRTDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-10(16)8-7-5(1-2-12-7)13-9(14-8)6-3-11-4-17-6/h1-4,12H,(H,15,16).
What are the key properties of 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 155598537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).