3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H19N3OS — CID 119755294

IUPAC3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1cnc(NC(=O)C2C3CCC(C3)C2N)s1
InChIInChI=1S/C13H19N3OS/c1-2-9-6-15-13(18-9)16-12(17)10-7-3-4-8(5-7)11(10)14/h6-8,10-11H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyUWWLMEZVLJPTOS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.02
Rot. Bonds3

About 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119755294) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119755294
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1cnc(NC(=O)C2C3CCC(C3)C2N)s1
InChIInChI=1S/C13H19N3OS/c1-2-9-6-15-13(18-9)16-12(17)10-7-3-4-8(5-7)11(10)14/h6-8,10-11H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyUWWLMEZVLJPTOS-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119755294) is 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCc1cnc(NC(=O)C2C3CCC(C3)C2N)s1.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UWWLMEZVLJPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-9-6-15-13(18-9)16-12(17)10-7-3-4-8(5-7)11(10)14/h6-8,10-11H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119755294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).