2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C14H18N2O3S — CID 66374274

IUPAC2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C14H18N2O3S/c17-13(10-6-8-1-2-9(10)5-8)15-4-3-12-16-11(7-20-12)14(18)19/h7-10H,1-6H2,(H,15,17)(H,18,19)
InChIKeyYRTAHCACXHYWJB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374274) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374274
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C14H18N2O3S/c17-13(10-6-8-1-2-9(10)5-8)15-4-3-12-16-11(7-20-12)14(18)19/h7-10H,1-6H2,(H,15,17)(H,18,19)
InChIKeyYRTAHCACXHYWJB-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374274) is 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNC(=O)C2CC3CCC2C3)n1.
What is the InChIKey of 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YRTAHCACXHYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(10-6-8-1-2-9(10)5-8)15-4-3-12-16-11(7-20-12)14(18)19/h7-10H,1-6H2,(H,15,17)(H,18,19).
What are the key properties of 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).