2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine

C6H7N5S2 — CID 611524

IUPAC2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCSc1nc2nc(N)nc(N)c2s1
InChIInChI=1S/C6H7N5S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyXBEJJWGLFWHDAM-UHFFFAOYSA-N
MW213.29 g/mol
LogP0.97
Rot. Bonds1

About 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine

2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 611524) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID611524
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCSc1nc2nc(N)nc(N)c2s1
InChIInChI=1S/C6H7N5S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyXBEJJWGLFWHDAM-UHFFFAOYSA-N
XLogP0.97
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine (CID 611524) is 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine is CSc1nc2nc(N)nc(N)c2s1.
What is the InChIKey of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is XBEJJWGLFWHDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10).
What are the key properties of 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine?
2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 213.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 611524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).