3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid

C13H15N3O3S — CID 69225392

IUPAC3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccc(N3CCOCC3)nc2s1
InChIInChI=1S/C13H15N3O3S/c17-12(18)4-3-11-14-9-1-2-10(15-13(9)20-11)16-5-7-19-8-6-16/h1-2H,3-8H2,(H,17,18)
InChIKeyVEZUZSMWFLKJDG-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid

3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 69225392) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID69225392
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccc(N3CCOCC3)nc2s1
InChIInChI=1S/C13H15N3O3S/c17-12(18)4-3-11-14-9-1-2-10(15-13(9)20-11)16-5-7-19-8-6-16/h1-2H,3-8H2,(H,17,18)
InChIKeyVEZUZSMWFLKJDG-UHFFFAOYSA-N
XLogP1.55
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
3-[4-[2-amino-4-benzyl-6-[(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-5-yl]phenyl]-1-morpholin-4-ylpropan-1-one
CID 87070244
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599734
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102546248

Frequently Asked Questions

What is the IUPAC name of 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 69225392) is 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2ccc(N3CCOCC3)nc2s1.
What is the InChIKey of 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is VEZUZSMWFLKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12(18)4-3-11-14-9-1-2-10(15-13(9)20-11)16-5-7-19-8-6-16/h1-2H,3-8H2,(H,17,18).
What are the key properties of 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 293.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 69225392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).