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

C6H6N4S — CID 59644806

IUPAC2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
SMILESC=C1Nc2nc(N)ncc2S1
InChIInChI=1S/C6H6N4S/c1-3-9-5-4(11-3)2-8-6(7)10-5/h2H,1H2,(H3,7,8,9,10)
InChIKeyHGULOTDVFHAJSJ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.05
Rot. Bonds

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

2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine (PubChem CID 59644806) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
PubChem CID59644806
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
SMILESC=C1Nc2nc(N)ncc2S1
InChIInChI=1S/C6H6N4S/c1-3-9-5-4(11-3)2-8-6(7)10-5/h2H,1H2,(H3,7,8,9,10)
InChIKeyHGULOTDVFHAJSJ-UHFFFAOYSA-N
XLogP1.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine (CID 59644806) is 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine is C=C1Nc2nc(N)ncc2S1.
What is the InChIKey of 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is HGULOTDVFHAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-3-9-5-4(11-3)2-8-6(7)10-5/h2H,1H2,(H3,7,8,9,10).
What are the key properties of 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 166.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 59644806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).