3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine

C10H10N6S — CID 155804582

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2csc(C)n2)c2nc[nH]c12
InChIInChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5,11H,2H2,1H3,(H,12,13)/b11-9-
InChIKeyOGSZFMMJGCLDJP-LUAWRHEFSA-N
MW246.30 g/mol
LogP1.05
Rot. Bonds2

About 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine (PubChem CID 155804582) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine
PubChem CID155804582
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2csc(C)n2)c2nc[nH]c12
InChIInChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5,11H,2H2,1H3,(H,12,13)/b11-9-
InChIKeyOGSZFMMJGCLDJP-LUAWRHEFSA-N
XLogP1.05
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine (CID 155804582) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine is [H]/N=c1\ncn(Cc2csc(C)n2)c2nc[nH]c12.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine?
The InChIKey is OGSZFMMJGCLDJP-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5,11H,2H2,1H3,(H,12,13)/b11-9-.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine has a molecular weight of 246.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-6-imine is sourced from PubChem (CID 155804582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).