(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine

C11H16N2S — CID 164651955

IUPAC(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
SMILESCC(NC1CC[C@@H]2C[C@H]12)c1cscn1
InChIInChI=1S/C11H16N2S/c1-7(11-5-14-6-12-11)13-10-3-2-8-4-9(8)10/h5-10,13H,2-4H2,1H3/t7?,8-,9+,10?/m1/s1
InChIKeyCGSOLIWSMBHBDL-MXAZLMSGSA-N
MW208.33 g/mol
LogP2.59
Rot. Bonds3

About (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine

(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine (PubChem CID 164651955) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
PubChem CID164651955
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
SMILESCC(NC1CC[C@@H]2C[C@H]12)c1cscn1
InChIInChI=1S/C11H16N2S/c1-7(11-5-14-6-12-11)13-10-3-2-8-4-9(8)10/h5-10,13H,2-4H2,1H3/t7?,8-,9+,10?/m1/s1
InChIKeyCGSOLIWSMBHBDL-MXAZLMSGSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine (CID 164651955) is (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine is CC(NC1CC[C@@H]2C[C@H]12)c1cscn1.
What is the InChIKey of (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine?
The InChIKey is CGSOLIWSMBHBDL-MXAZLMSGSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7(11-5-14-6-12-11)13-10-3-2-8-4-9(8)10/h5-10,13H,2-4H2,1H3/t7?,8-,9+,10?/m1/s1.
What are the key properties of (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine?
(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 164651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).