N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C16H14N6S2 — CID 75443178

IUPACN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCc3cccc(-c4ncc[nH]4)c3)c2s1
InChIInChI=1S/C16H14N6S2/c1-23-16-22-15-12(24-16)14(20-9-21-15)19-8-10-3-2-4-11(7-10)13-17-5-6-18-13/h2-7,9H,8H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyOKJZEZMSBZFYAR-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.81
Rot. Bonds5

About N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 75443178) has the molecular formula C16H14N6S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID75443178
Molecular FormulaC16H14N6S2
Molecular Weight354.46 g/mol
Exact Mass354.07
IUPAC NameN-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(NCc3cccc(-c4ncc[nH]4)c3)c2s1
InChIInChI=1S/C16H14N6S2/c1-23-16-22-15-12(24-16)14(20-9-21-15)19-8-10-3-2-4-11(7-10)13-17-5-6-18-13/h2-7,9H,8H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyOKJZEZMSBZFYAR-UHFFFAOYSA-N
XLogP3.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine 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 N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 75443178) is N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(NCc3cccc(-c4ncc[nH]4)c3)c2s1.
What is the InChIKey of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OKJZEZMSBZFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S2/c1-23-16-22-15-12(24-16)14(20-9-21-15)19-8-10-3-2-4-11(7-10)13-17-5-6-18-13/h2-7,9H,8H2,1H3,(H,17,18)(H,19,20,21).
What are the key properties of N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 354.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 75443178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).