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

C15H16N2O2S — CID 82098344

IUPAC2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C15H16N2O2S/c1-10(15(18)19)17-8-7-12-13(9-17)20-14(16-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyWTFOKESQFASTGO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.64
Rot. Bonds3

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

2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (PubChem CID 82098344) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
PubChem CID82098344
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C15H16N2O2S/c1-10(15(18)19)17-8-7-12-13(9-17)20-14(16-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyWTFOKESQFASTGO-UHFFFAOYSA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanoic acid
CID 82098354
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
CID 43667854
2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098363
5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 87111668
5-(4-chlorophenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033264
2-[2-[[3-[3-[[5-(1-carboxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-methylidene-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]propanoic acid
CID 139573590
N-(5-chloro-2-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 46297458
N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033159
2-(5-bromo-1H-indol-3-yl)-2-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 42655368
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 80556382

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The IUPAC name of 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid (CID 82098344) is 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The canonical SMILES for 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is CC(C(=O)O)N1CCc2nc(-c3ccccc3)sc2C1.
What is the InChIKey of 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
The InChIKey is WTFOKESQFASTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(15(18)19)17-8-7-12-13(9-17)20-14(16-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid?
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid has a molecular weight of 288.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 82098344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).