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

C18H22N2S — CID 105006662

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)C1CC2CC2C1
InChIInChI=1S/C18H22N2S/c1-19-16(15-8-13-7-14(13)9-15)10-18-20-17(11-21-18)12-5-3-2-4-6-12/h2-6,11,13-16,19H,7-10H2,1H3
InChIKeyLTLFUTNRHOWRMU-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.99
Rot. Bonds5

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

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105006662) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105006662
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)C1CC2CC2C1
InChIInChI=1S/C18H22N2S/c1-19-16(15-8-13-7-14(13)9-15)10-18-20-17(11-21-18)12-5-3-2-4-6-12/h2-6,11,13-16,19H,7-10H2,1H3
InChIKeyLTLFUTNRHOWRMU-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine with MolForge

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Related Compounds

N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79825761
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015850
[1-(2-methylcyclopropyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105234902
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105006662) is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(-c2ccccc2)cs1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is LTLFUTNRHOWRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-19-16(15-8-13-7-14(13)9-15)10-18-20-17(11-21-18)12-5-3-2-4-6-12/h2-6,11,13-16,19H,7-10H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 298.45 g/mol, XLogP of 3.99, 5 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-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105006662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).