1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine

C11H16N2S — CID 164647407

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine
SMILESCNC(c1cnsc1)C1CC2CC2C1
InChIInChI=1S/C11H16N2S/c1-12-11(10-5-13-14-6-10)9-3-7-2-8(7)4-9/h5-9,11-12H,2-4H2,1H3
InChIKeySIEHRZMIVPUQDD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine (PubChem CID 164647407) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine
PubChem CID164647407
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine
SMILESCNC(c1cnsc1)C1CC2CC2C1
InChIInChI=1S/C11H16N2S/c1-12-11(10-5-13-14-6-10)9-3-7-2-8(7)4-9/h5-9,11-12H,2-4H2,1H3
InChIKeySIEHRZMIVPUQDD-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine (CID 164647407) is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine is CNC(c1cnsc1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine?
The InChIKey is SIEHRZMIVPUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-12-11(10-5-13-14-6-10)9-3-7-2-8(7)4-9/h5-9,11-12H,2-4H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine?
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(1,2-thiazol-4-yl)methanamine is sourced from PubChem (CID 164647407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).