N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

C14H16F2N2O2S — CID 63829177

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCOc1cccc(CNCCc2cscn2)c1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-19-12-4-2-3-10(13(12)20-14(15)16)7-17-6-5-11-8-21-9-18-11/h2-4,8-9,14,17H,5-7H2,1H3
InChIKeySQEQNASYZLCXIZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.09
Rot. Bonds8

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63829177) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63829177
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCOc1cccc(CNCCc2cscn2)c1OC(F)F
InChIInChI=1S/C14H16F2N2O2S/c1-19-12-4-2-3-10(13(12)20-14(15)16)7-17-6-5-11-8-21-9-18-11/h2-4,8-9,14,17H,5-7H2,1H3
InChIKeySQEQNASYZLCXIZ-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604448
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
2-methoxy-6-[(1,3-thiazol-4-ylmethylamino)methyl]phenol
CID 62732785
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
CID 106538603
1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 112700803
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63829177) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is COc1cccc(CNCCc2cscn2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is SQEQNASYZLCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-19-12-4-2-3-10(13(12)20-14(15)16)7-17-6-5-11-8-21-9-18-11/h2-4,8-9,14,17H,5-7H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 314.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63829177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).