2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C6H6N4S2 — CID 607752

IUPAC2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCSc1nc2cnc(N)nc2s1
InChIInChI=1S/C6H6N4S2/c1-11-6-9-3-2-8-5(7)10-4(3)12-6/h2H,1H3,(H2,7,8,10)
InChIKeyAUXBHVTXXUIPHQ-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.39
Rot. Bonds1

About 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 607752) has the molecular formula C6H6N4S2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID607752
Molecular FormulaC6H6N4S2
Molecular Weight198.28 g/mol
Exact Mass198.00
IUPAC Name2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCSc1nc2cnc(N)nc2s1
InChIInChI=1S/C6H6N4S2/c1-11-6-9-3-2-8-5(7)10-4(3)12-6/h2H,1H3,(H2,7,8,10)
InChIKeyAUXBHVTXXUIPHQ-UHFFFAOYSA-N
XLogP1.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 607752) is 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is CSc1nc2cnc(N)nc2s1.
What is the InChIKey of 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is AUXBHVTXXUIPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2/c1-11-6-9-3-2-8-5(7)10-4(3)12-6/h2H,1H3,(H2,7,8,10).
What are the key properties of 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 198.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 607752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).