2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid

C10H12N2O2S — CID 62753997

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3CCC2C3)s1
InChIInChI=1S/C10H12N2O2S/c13-9(14)8-4-11-10(15-8)12-5-6-1-2-7(12)3-6/h4,6-7H,1-3,5H2,(H,13,14)
InChIKeyBOGVWZRUXBNNAX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.83
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid

2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62753997) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62753997
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3CCC2C3)s1
InChIInChI=1S/C10H12N2O2S/c13-9(14)8-4-11-10(15-8)12-5-6-1-2-7(12)3-6/h4,6-7H,1-3,5H2,(H,13,14)
InChIKeyBOGVWZRUXBNNAX-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 143277520
2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 65531931
2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 65531933
2-[(3S,5R)-3,5-difluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 167977566
2-(Piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 33589513
2-(4-Propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 60114332
2-(4-Piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62754496
2-(4-Methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 67001649
2-[4-(Hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
2-(4-Hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 62753997) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CC3CCC2C3)s1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BOGVWZRUXBNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-9(14)8-4-11-10(15-8)12-5-6-1-2-7(12)3-6/h4,6-7H,1-3,5H2,(H,13,14).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62753997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).