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

C16H18N2O2S — CID 82098355

IUPAC2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2nc(Cc3ccccc3)sc2C1
InChIInChI=1S/C16H18N2O2S/c1-11(16(19)20)18-8-7-13-14(10-18)21-15(17-13)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyFHFYQOIANTZBJM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.57
Rot. Bonds4

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

2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (PubChem CID 82098355) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
PubChem CID82098355
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2nc(Cc3ccccc3)sc2C1
InChIInChI=1S/C16H18N2O2S/c1-11(16(19)20)18-8-7-13-14(10-18)21-15(17-13)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyFHFYQOIANTZBJM-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2,6-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanoic acid
CID 82098354
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098360
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145
ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68643971
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770039
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 68643969
(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The IUPAC name of 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (CID 82098355) is 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The canonical SMILES for 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is CC(C(=O)O)N1CCc2nc(Cc3ccccc3)sc2C1.
What is the InChIKey of 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The InChIKey is FHFYQOIANTZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(16(19)20)18-8-7-13-14(10-18)21-15(17-13)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20).
What are the key properties of 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid has a molecular weight of 302.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 82098355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).