1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

C19H22N2OS — CID 53272495

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1cccc(-c2cnc(CNCC3CC4C=CC3C4)s2)c1
InChIInChI=1S/C19H22N2OS/c1-22-17-4-2-3-15(9-17)18-11-21-19(23-18)12-20-10-16-8-13-5-6-14(16)7-13/h2-6,9,11,13-14,16,20H,7-8,10,12H2,1H3
InChIKeyPHKAZLVFEJYOBV-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.12
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272495) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272495
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1cccc(-c2cnc(CNCC3CC4C=CC3C4)s2)c1
InChIInChI=1S/C19H22N2OS/c1-22-17-4-2-3-15(9-17)18-11-21-19(23-18)12-20-10-16-8-13-5-6-14(16)7-13/h2-6,9,11,13-14,16,20H,7-8,10,12H2,1H3
InChIKeyPHKAZLVFEJYOBV-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272863
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272844
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273377
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119153455
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 63362740
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272495) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is COc1cccc(-c2cnc(CNCC3CC4C=CC3C4)s2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is PHKAZLVFEJYOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-22-17-4-2-3-15(9-17)18-11-21-19(23-18)12-20-10-16-8-13-5-6-14(16)7-13/h2-6,9,11,13-14,16,20H,7-8,10,12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 326.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).