N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C7H8N4S — CID 123318314

IUPACN-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCNc1ncnc2scnc12
InChIInChI=1S/C7H8N4S/c1-2-8-6-5-7(10-3-9-6)12-4-11-5/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyNTKCCLVBCBLONZ-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.52
Rot. Bonds2

About N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 123318314) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID123318314
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC NameN-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCNc1ncnc2scnc12
InChIInChI=1S/C7H8N4S/c1-2-8-6-5-7(10-3-9-6)12-4-11-5/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyNTKCCLVBCBLONZ-UHFFFAOYSA-N
XLogP1.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 123318314) is N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCNc1ncnc2scnc12.
What is the InChIKey of N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is NTKCCLVBCBLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-8-6-5-7(10-3-9-6)12-4-11-5/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 180.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 123318314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).