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

C13H13F3N2S2 — CID 106849657

IUPACN-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccc(SC)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S2/c1-17-7-10-11(13(14,15)16)18-12(20-10)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3
InChIKeySOAZOOFNYRRMLI-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.27
Rot. Bonds4

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

N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106849657) has the molecular formula C13H13F3N2S2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106849657
Molecular FormulaC13H13F3N2S2
Molecular Weight318.39 g/mol
Exact Mass318.05
IUPAC NameN-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccc(SC)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S2/c1-17-7-10-11(13(14,15)16)18-12(20-10)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3
InChIKeySOAZOOFNYRRMLI-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
1-[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107915426
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106849657) is N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(-c2ccc(SC)cc2)nc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SOAZOOFNYRRMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S2/c1-17-7-10-11(13(14,15)16)18-12(20-10)8-3-5-9(19-2)6-4-8/h3-6,17H,7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 318.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106849657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).