4-methyl-5-(7H-purin-8-yl)-1,3-thiazole

C9H7N5S — CID 114402555

IUPAC4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
SMILESCc1ncsc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C9H7N5S/c1-5-7(15-4-12-5)9-13-6-2-10-3-11-8(6)14-9/h2-4H,1H3,(H,10,11,13,14)
InChIKeyIDEQLVGBWNIKTF-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.78
Rot. Bonds1

About 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole

4-methyl-5-(7H-purin-8-yl)-1,3-thiazole (PubChem CID 114402555) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
PubChem CID114402555
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
SMILESCc1ncsc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C9H7N5S/c1-5-7(15-4-12-5)9-13-6-2-10-3-11-8(6)14-9/h2-4H,1H3,(H,10,11,13,14)
InChIKeyIDEQLVGBWNIKTF-UHFFFAOYSA-N
XLogP1.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822026
2-(7H-purin-8-yl)-1,3-thiazole
CID 67998499
5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 81463558
5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 60978144
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
8-(2,5-dimethylpyrazol-3-yl)-7H-purine
CID 136989215
8-thiophen-3-yl-7H-purine
CID 114402602
methyl 4-chloro-5-(7H-purin-8-yl)thiophene-3-carboxylate
CID 167917296
2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole (CID 114402555) is 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole is Cc1ncsc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole?
The InChIKey is IDEQLVGBWNIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c1-5-7(15-4-12-5)9-13-6-2-10-3-11-8(6)14-9/h2-4H,1H3,(H,10,11,13,14).
What are the key properties of 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole?
4-methyl-5-(7H-purin-8-yl)-1,3-thiazole has a molecular weight of 217.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7H-purin-8-yl)-1,3-thiazole is sourced from PubChem (CID 114402555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).