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

C23H19F3N2S — CID 46083470

IUPACN-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
SMILESCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1cccc2ccccc12
InChIInChI=1S/C23H19F3N2S/c1-28(13-18-7-4-6-16-5-2-3-8-21(16)18)14-20-15-29-22(27-20)17-9-11-19(12-10-17)23(24,25)26/h2-12,15H,13-14H2,1H3
InChIKeyNCCDYXSAIAGLFQ-UHFFFAOYSA-N
MW412.48 g/mol
LogP6.61
Rot. Bonds5

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

N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 46083470) has the molecular formula C23H19F3N2S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID46083470
Molecular FormulaC23H19F3N2S
Molecular Weight412.48 g/mol
Exact Mass412.12
IUPAC NameN-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
SMILESCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1cccc2ccccc12
InChIInChI=1S/C23H19F3N2S/c1-28(13-18-7-4-6-16-5-2-3-8-21(16)18)14-20-15-29-22(27-20)17-9-11-19(12-10-17)23(24,25)26/h2-12,15H,13-14H2,1H3
InChIKeyNCCDYXSAIAGLFQ-UHFFFAOYSA-N
XLogP6.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine (CID 46083470) is N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine is CN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is NCCDYXSAIAGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2S/c1-28(13-18-7-4-6-16-5-2-3-8-21(16)18)14-20-15-29-22(27-20)17-9-11-19(12-10-17)23(24,25)26/h2-12,15H,13-14H2,1H3.
What are the key properties of N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 412.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 46083470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).