2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid

C9H8N4O2S — CID 67549448

IUPAC2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(Nc2cncnc2)s1
InChIInChI=1S/C9H8N4O2S/c1-5-12-7(9(14)15)8(16-5)13-6-2-10-4-11-3-6/h2-4,13H,1H3,(H,14,15)
InChIKeyZVSKFUALHFWUJQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid

2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 67549448) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID67549448
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(Nc2cncnc2)s1
InChIInChI=1S/C9H8N4O2S/c1-5-12-7(9(14)15)8(16-5)13-6-2-10-4-11-3-6/h2-4,13H,1H3,(H,14,15)
InChIKeyZVSKFUALHFWUJQ-UHFFFAOYSA-N
XLogP1.68
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-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-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid (CID 67549448) is 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(Nc2cncnc2)s1.
What is the InChIKey of 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZVSKFUALHFWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-5-12-7(9(14)15)8(16-5)13-6-2-10-4-11-3-6/h2-4,13H,1H3,(H,14,15).
What are the key properties of 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid?
2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67549448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).