N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C12H11F3N2S2 — CID 61331510

IUPACN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCNC(c1ccc(SC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C12H11F3N2S2/c1-16-10(11-17-6-7-18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,10,16H,1H3
InChIKeyKOZGIGHSJSBSGO-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 61331510) has the molecular formula C12H11F3N2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID61331510
Molecular FormulaC12H11F3N2S2
Molecular Weight304.36 g/mol
Exact Mass304.03
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCNC(c1ccc(SC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C12H11F3N2S2/c1-16-10(11-17-6-7-18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,10,16H,1H3
InChIKeyKOZGIGHSJSBSGO-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 61331510) is N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is CNC(c1ccc(SC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is KOZGIGHSJSBSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S2/c1-16-10(11-17-6-7-18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7,10,16H,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 61331510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).