5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride

C7H12F17N3S — CID 157311752

IUPAC5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
SMILESCN1CCc2nc(N)sc2C1.F.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C7H11N3S.8F2.FH/c1-10-3-2-5-6(4-10)11-7(8)9-5;8*1-2;/h2-4H2,1H3,(H2,8,9);;;;;;;;;1H
InChIKeyBDCUJLARJRWYGU-UHFFFAOYSA-N
MW493.23 g/mol
LogP7.59
Rot. Bonds

About 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride (PubChem CID 157311752) has the molecular formula C7H12F17N3S and a molecular weight of 493.23 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
PubChem CID157311752
Molecular FormulaC7H12F17N3S
Molecular Weight493.23 g/mol
Exact Mass493.05
IUPAC Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
SMILESCN1CCc2nc(N)sc2C1.F.FF.FF.FF.FF.FF.FF.FF.FF
InChIInChI=1S/C7H11N3S.8F2.FH/c1-10-3-2-5-6(4-10)11-7(8)9-5;8*1-2;/h2-4H2,1H3,(H2,8,9);;;;;;;;;1H
InChIKeyBDCUJLARJRWYGU-UHFFFAOYSA-N
XLogP7.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.23
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride (CID 157311752) is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride is CN1CCc2nc(N)sc2C1.F.FF.FF.FF.FF.FF.FF.FF.FF.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride?
The InChIKey is BDCUJLARJRWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.8F2.FH/c1-10-3-2-5-6(4-10)11-7(8)9-5;8*1-2;/h2-4H2,1H3,(H2,8,9);;;;;;;;;1H.
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride?
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride has a molecular weight of 493.23 g/mol, XLogP of 7.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride is sourced from PubChem (CID 157311752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).