[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C12H13N5S2 — CID 63809494

IUPAC[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3sccn3c2CN)n1
InChIInChI=1S/C12H13N5S2/c1-7-5-8(2)15-11(14-7)19-10-9(6-13)17-3-4-18-12(17)16-10/h3-5H,6,13H2,1-2H3
InChIKeyXESGQSWRMYQVOA-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.41
Rot. Bonds3

About [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 63809494) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID63809494
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC Name[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3sccn3c2CN)n1
InChIInChI=1S/C12H13N5S2/c1-7-5-8(2)15-11(14-7)19-10-9(6-13)17-3-4-18-12(17)16-10/h3-5H,6,13H2,1-2H3
InChIKeyXESGQSWRMYQVOA-UHFFFAOYSA-N
XLogP2.41
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 63809494) is [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is Cc1cc(C)nc(Sc2nc3sccn3c2CN)n1.
What is the InChIKey of [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is XESGQSWRMYQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-7-5-8(2)15-11(14-7)19-10-9(6-13)17-3-4-18-12(17)16-10/h3-5H,6,13H2,1-2H3.
What are the key properties of [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 63809494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).