1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

C20H21FN2O3S — CID 53273034

IUPAC1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1cc(-c2cnc(CNCc3ccccc3F)s2)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O3S/c1-24-16-8-14(9-17(25-2)20(16)26-3)18-11-23-19(27-18)12-22-10-13-6-4-5-7-15(13)21/h4-9,11,22H,10,12H2,1-3H3
InChIKeyMDRJMGWMVXIFDR-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.26
Rot. Bonds8

About 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53273034) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53273034
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1cc(-c2cnc(CNCc3ccccc3F)s2)cc(OC)c1OC
InChIInChI=1S/C20H21FN2O3S/c1-24-16-8-14(9-17(25-2)20(16)26-3)18-11-23-19(27-18)12-22-10-13-6-4-5-7-15(13)21/h4-9,11,22H,10,12H2,1-3H3
InChIKeyMDRJMGWMVXIFDR-UHFFFAOYSA-N
XLogP4.26
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 162655827
(E)-N-(2-aminophenyl)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166625808
(E)-N-(2-aminophenyl)-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166629287
5-[2-[2-(3,4,5-Trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine;dihydrochloride
CID 45260762
(5S,7S)-5-(1,3-thiazol-2-yl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 92594192
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 75439478
(1S)-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 97103231
2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]-1,3-thiazole
CID 97158498
5-[2-[2-(3,4,5-Trimethoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-amine
CID 10854450
N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713629
N-[[2,6-dimethoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713630
N-[[2-methoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 69713844

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53273034) is 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is COc1cc(-c2cnc(CNCc3ccccc3F)s2)cc(OC)c1OC.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is MDRJMGWMVXIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-24-16-8-14(9-17(25-2)20(16)26-3)18-11-23-19(27-18)12-22-10-13-6-4-5-7-15(13)21/h4-9,11,22H,10,12H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 388.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53273034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).