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

C14H11N7S — CID 108779899

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2nc(CNc3ncnc4nc[nH]c34)cs2)nc1
InChIInChI=1S/C14H11N7S/c1-2-4-15-10(3-1)14-21-9(6-22-14)5-16-12-11-13(18-7-17-11)20-8-19-12/h1-4,6-8H,5H2,(H2,16,17,18,19,20)
InChIKeyJZWMWRXQQWOUST-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.48
Rot. Bonds4

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

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine (PubChem CID 108779899) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine
PubChem CID108779899
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2nc(CNc3ncnc4nc[nH]c34)cs2)nc1
InChIInChI=1S/C14H11N7S/c1-2-4-15-10(3-1)14-21-9(6-22-14)5-16-12-11-13(18-7-17-11)20-8-19-12/h1-4,6-8H,5H2,(H2,16,17,18,19,20)
InChIKeyJZWMWRXQQWOUST-UHFFFAOYSA-N
XLogP2.48
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine (CID 108779899) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine is c1ccc(-c2nc(CNc3ncnc4nc[nH]c34)cs2)nc1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine?
The InChIKey is JZWMWRXQQWOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c1-2-4-15-10(3-1)14-21-9(6-22-14)5-16-12-11-13(18-7-17-11)20-8-19-12/h1-4,6-8H,5H2,(H2,16,17,18,19,20).
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine has a molecular weight of 309.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 108779899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).