1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C15H18F2N2OS2 — CID 84587754

IUPAC1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2scnc2C)ccc1SC(F)F
InChIInChI=1S/C15H18F2N2OS2/c1-9(18-7-14-10(2)19-8-21-14)11-4-5-13(22-15(16)17)12(6-11)20-3/h4-6,8-9,15,18H,7H2,1-3H3
InChIKeyOHZHLQBHOIOIKC-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.63
Rot. Bonds7

About 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 84587754) has the molecular formula C15H18F2N2OS2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID84587754
Molecular FormulaC15H18F2N2OS2
Molecular Weight344.45 g/mol
Exact Mass344.08
IUPAC Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2scnc2C)ccc1SC(F)F
InChIInChI=1S/C15H18F2N2OS2/c1-9(18-7-14-10(2)19-8-21-14)11-4-5-13(22-15(16)17)12(6-11)20-3/h4-6,8-9,15,18H,7H2,1-3H3
InChIKeyOHZHLQBHOIOIKC-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 75427788
N'-[[4-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 172468074
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 71683816
1-[2-(cyclopropylmethoxy)-4-methylphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 71855441
N'-[[4-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 172468075
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 174875677
N-[[4-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 176163944
(1R)-1-[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 28416953
(1S)-1-[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 28416955
(1R)-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 28416957
(1S)-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 28416959
(1R)-1-[2-fluoro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 28416965

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 84587754) is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COc1cc(C(C)NCc2scnc2C)ccc1SC(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is OHZHLQBHOIOIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS2/c1-9(18-7-14-10(2)19-8-21-14)11-4-5-13(22-15(16)17)12(6-11)20-3/h4-6,8-9,15,18H,7H2,1-3H3.
What are the key properties of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 344.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 84587754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).