2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid

C15H17N3O2S — CID 82098363

IUPAC2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCc2nc(-c3cccnc3)sc2C1
InChIInChI=1S/C15H17N3O2S/c1-2-12(15(19)20)18-7-5-11-13(9-18)21-14(17-11)10-4-3-6-16-8-10/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyGXLUOEQZQVIHLA-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid

2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid (PubChem CID 82098363) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
PubChem CID82098363
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCc2nc(-c3cccnc3)sc2C1
InChIInChI=1S/C15H17N3O2S/c1-2-12(15(19)20)18-7-5-11-13(9-18)21-14(17-11)10-4-3-6-16-8-10/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyGXLUOEQZQVIHLA-UHFFFAOYSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid with MolForge

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Related Compounds

2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098360
2-[2-(2,6-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanoic acid
CID 82098354
azepan-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203315
piperidin-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203258
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one
CID 19779674
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 87111668
2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203321
4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
CID 43667854
(2R,3R)-2-(2,4-difluorophenyl)-3-(2-pyrimidin-5-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;sulfuric acid;hydrate
CID 90655950

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The IUPAC name of 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid (CID 82098363) is 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid.
What is the SMILES notation for 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The canonical SMILES for 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid is CCC(C(=O)O)N1CCc2nc(-c3cccnc3)sc2C1.
What is the InChIKey of 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The InChIKey is GXLUOEQZQVIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-12(15(19)20)18-7-5-11-13(9-18)21-14(17-11)10-4-3-6-16-8-10/h3-4,6,8,12H,2,5,7,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid has a molecular weight of 303.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid is sourced from PubChem (CID 82098363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).