5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid

C10H16N2O2S — CID 175421200

IUPAC5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid
SMILESCCC(=O)O.CN1CCc2ncsc2C1
InChIInChI=1S/C7H10N2S.C3H6O2/c1-9-3-2-6-7(4-9)10-5-8-6;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyVJCAEBJPSGUFCW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.61
Rot. Bonds1

About 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid (PubChem CID 175421200) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid
PubChem CID175421200
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid
SMILESCCC(=O)O.CN1CCc2ncsc2C1
InChIInChI=1S/C7H10N2S.C3H6O2/c1-9-3-2-6-7(4-9)10-5-8-6;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyVJCAEBJPSGUFCW-UHFFFAOYSA-N
XLogP1.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.61
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]pyridine;propanoic acid?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid (CID 175421200) is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid is CCC(=O)O.CN1CCc2ncsc2C1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid?
The InChIKey is VJCAEBJPSGUFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C3H6O2/c1-9-3-2-6-7(4-9)10-5-8-6;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid?
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.61, 1 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]pyridine;propanoic acid is sourced from PubChem (CID 175421200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).