4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one

C11H16N2OS — CID 106380075

IUPAC4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CC3CCC2C3)cs1
InChIInChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10-4-7-1-2-8(10)3-7/h6-8,10,12H,1-5H2,(H,13,14)
InChIKeyKMWGZCVIYXBRGY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds3

About 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380075) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380075
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CC3CCC2C3)cs1
InChIInChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10-4-7-1-2-8(10)3-7/h6-8,10,12H,1-5H2,(H,13,14)
InChIKeyKMWGZCVIYXBRGY-UHFFFAOYSA-N
XLogP1.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380075) is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CC3CCC2C3)cs1.
What is the InChIKey of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KMWGZCVIYXBRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10-4-7-1-2-8(10)3-7/h6-8,10,12H,1-5H2,(H,13,14).
What are the key properties of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).