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

C15H18F2N2OS2 — CID 97231637

IUPAC(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1cc([C@H](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/t9-/m0/s1
InChIKeyOHZHLQBHOIOIKC-VIFPVBQESA-N
MW344.45 g/mol
LogP4.63
Rot. Bonds7

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

(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 97231637) has the molecular formula C15H18F2N2OS2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID97231637
Molecular FormulaC15H18F2N2OS2
Molecular Weight344.45 g/mol
Exact Mass344.08
IUPAC Name(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1cc([C@H](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/t9-/m0/s1
InChIKeyOHZHLQBHOIOIKC-VIFPVBQESA-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 (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)ethanamine
CID 124572393
(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164629583
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 75383153
1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 55170907
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(4,5-dimethoxy-2-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64988354

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 97231637) is (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COc1cc([C@H](C)NCc2scnc2C)ccc1SC(F)F.
What is the InChIKey of (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is OHZHLQBHOIOIKC-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1S)-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 (1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 97231637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).