2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C6H6N4S2 — CID 607703

IUPAC2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N)c2s1
InChIInChI=1S/C6H6N4S2/c1-11-6-10-5-3(12-6)4(7)8-2-9-5/h2H,1H3,(H2,7,8,9)
InChIKeyRRACTFDOWHYOJC-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.39
Rot. Bonds1

About 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 607703) has the molecular formula C6H6N4S2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID607703
Molecular FormulaC6H6N4S2
Molecular Weight198.28 g/mol
Exact Mass198.00
IUPAC Name2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N)c2s1
InChIInChI=1S/C6H6N4S2/c1-11-6-10-5-3(12-6)4(7)8-2-9-5/h2H,1H3,(H2,7,8,9)
InChIKeyRRACTFDOWHYOJC-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[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 607703) is 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(N)c2s1.
What is the InChIKey of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is RRACTFDOWHYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2/c1-11-6-10-5-3(12-6)4(7)8-2-9-5/h2H,1H3,(H2,7,8,9).
What are the key properties of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-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[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 607703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).