7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine

C11H16N2S — CID 164647406

IUPAC7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1C2CCCCC21
InChIInChI=1S/C11H16N2S/c12-11(7-5-13-14-6-7)10-8-3-1-2-4-9(8)10/h5-6,8-11H,1-4,12H2
InChIKeyOAANCUWZOKEKNX-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.58
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine

7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine (PubChem CID 164647406) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine
PubChem CID164647406
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1C2CCCCC21
InChIInChI=1S/C11H16N2S/c12-11(7-5-13-14-6-7)10-8-3-1-2-4-9(8)10/h5-6,8-11H,1-4,12H2
InChIKeyOAANCUWZOKEKNX-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine (CID 164647406) is 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine is NC(c1cnsc1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine?
The InChIKey is OAANCUWZOKEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11(7-5-13-14-6-7)10-8-3-1-2-4-9(8)10/h5-6,8-11H,1-4,12H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine?
7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl(1,2-thiazol-4-yl)methanamine is sourced from PubChem (CID 164647406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).