N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine

C8H11N5S — CID 83834527

IUPACN'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)nc2scnc12
InChIInChI=1S/C8H11N5S/c1-5-6-7(14-4-11-6)13-8(12-5)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,12,13)
InChIKeyCNNJRIBNLYIVIY-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.77
Rot. Bonds3

About N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine

N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 83834527) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine
PubChem CID83834527
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)nc2scnc12
InChIInChI=1S/C8H11N5S/c1-5-6-7(14-4-11-6)13-8(12-5)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,12,13)
InChIKeyCNNJRIBNLYIVIY-UHFFFAOYSA-N
XLogP0.77
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine (CID 83834527) is N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine is Cc1nc(NCCN)nc2scnc12.
What is the InChIKey of N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is CNNJRIBNLYIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-6-7(14-4-11-6)13-8(12-5)10-3-2-9/h4H,2-3,9H2,1H3,(H,10,12,13).
What are the key properties of N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine?
N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 209.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 83834527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).