2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H20N2O3S — CID 79611899

IUPAC2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1nc(CC(=O)N2C3CCC2CC(CC(=O)O)C3)cs1
InChIInChI=1S/C15H20N2O3S/c1-9-16-11(8-21-9)7-14(18)17-12-2-3-13(17)5-10(4-12)6-15(19)20/h8,10,12-13H,2-7H2,1H3,(H,19,20)
InChIKeyGHDXOJPBIQOEFQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.24
Rot. Bonds4

About 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79611899) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79611899
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1nc(CC(=O)N2C3CCC2CC(CC(=O)O)C3)cs1
InChIInChI=1S/C15H20N2O3S/c1-9-16-11(8-21-9)7-14(18)17-12-2-3-13(17)5-10(4-12)6-15(19)20/h8,10,12-13H,2-7H2,1H3,(H,19,20)
InChIKeyGHDXOJPBIQOEFQ-UHFFFAOYSA-N
XLogP2.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-(2-thiophen-2-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615067
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
(1S,4S)-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 154566868
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608328
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79611899) is 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1nc(CC(=O)N2C3CCC2CC(CC(=O)O)C3)cs1.
What is the InChIKey of 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is GHDXOJPBIQOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-16-11(8-21-9)7-14(18)17-12-2-3-13(17)5-10(4-12)6-15(19)20/h8,10,12-13H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 308.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79611899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).