N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine

C11H12N6S2 — CID 79774146

IUPACN-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2ncnc3nc[nH]c23)s1
InChIInChI=1S/C11H12N6S2/c1-2-12-11-13-3-7(19-11)4-18-10-8-9(15-5-14-8)16-6-17-10/h3,5-6H,2,4H2,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyGENJMDVHSHGYCN-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine

N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 79774146) has the molecular formula C11H12N6S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID79774146
Molecular FormulaC11H12N6S2
Molecular Weight292.39 g/mol
Exact Mass292.06
IUPAC NameN-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2ncnc3nc[nH]c23)s1
InChIInChI=1S/C11H12N6S2/c1-2-12-11-13-3-7(19-11)4-18-10-8-9(15-5-14-8)16-6-17-10/h3,5-6H,2,4H2,1H3,(H,12,13)(H,14,15,16,17)
InChIKeyGENJMDVHSHGYCN-UHFFFAOYSA-N
XLogP2.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 79774146) is N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine is CCNc1ncc(CSc2ncnc3nc[nH]c23)s1.
What is the InChIKey of N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GENJMDVHSHGYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S2/c1-2-12-11-13-3-7(19-11)4-18-10-8-9(15-5-14-8)16-6-17-10/h3,5-6H,2,4H2,1H3,(H,12,13)(H,14,15,16,17).
What are the key properties of N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 292.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).