N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine

C18H22N6OS — CID 141038307

IUPACN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
SMILESCN(CCOc1ccc(CC2CNCS2)cc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H22N6OS/c1-24(18-16-17(21-10-20-16)22-11-23-18)6-7-25-14-4-2-13(3-5-14)8-15-9-19-12-26-15/h2-5,10-11,15,19H,6-9,12H2,1H3,(H,20,21,22,23)
InChIKeyLJGFJTWQJYEVGT-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.07
Rot. Bonds7

About N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine

N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine (PubChem CID 141038307) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
PubChem CID141038307
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
SMILESCN(CCOc1ccc(CC2CNCS2)cc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C18H22N6OS/c1-24(18-16-17(21-10-20-16)22-11-23-18)6-7-25-14-4-2-13(3-5-14)8-15-9-19-12-26-15/h2-5,10-11,15,19H,6-9,12H2,1H3,(H,20,21,22,23)
InChIKeyLJGFJTWQJYEVGT-UHFFFAOYSA-N
XLogP2.07
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-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-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine?
The IUPAC name of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine (CID 141038307) is N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine is CN(CCOc1ccc(CC2CNCS2)cc1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine?
The InChIKey is LJGFJTWQJYEVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-24(18-16-17(21-10-20-16)22-11-23-18)6-7-25-14-4-2-13(3-5-14)8-15-9-19-12-26-15/h2-5,10-11,15,19H,6-9,12H2,1H3,(H,20,21,22,23).
What are the key properties of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine?
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine has a molecular weight of 370.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 141038307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).