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

C11H12N6S — CID 39834553

IUPACN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
SMILESCc1nc([C@H](C)Nc2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C11H12N6S/c1-6(8-3-18-7(2)17-8)16-11-9-10(13-4-12-9)14-5-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)/t6-/m0/s1
InChIKeyJCTUTDLEPVEATQ-LURJTMIESA-N
MW260.33 g/mol
LogP2.29
Rot. Bonds3

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

N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine (PubChem CID 39834553) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
PubChem CID39834553
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
SMILESCc1nc([C@H](C)Nc2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C11H12N6S/c1-6(8-3-18-7(2)17-8)16-11-9-10(13-4-12-9)14-5-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)/t6-/m0/s1
InChIKeyJCTUTDLEPVEATQ-LURJTMIESA-N
XLogP2.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine (CID 39834553) is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine is Cc1nc([C@H](C)Nc2ncnc3nc[nH]c23)cs1.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
The InChIKey is JCTUTDLEPVEATQ-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N6S/c1-6(8-3-18-7(2)17-8)16-11-9-10(13-4-12-9)14-5-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine has a molecular weight of 260.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 39834553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).