N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C13H13F3N2S2 — CID 63280056

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCc1ncsc1CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S2/c1-9-12(19-8-18-9)7-17-6-10-2-4-11(5-3-10)20-13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyDFPWIBXXVSYPGK-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.35
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 63280056) has the molecular formula C13H13F3N2S2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID63280056
Molecular FormulaC13H13F3N2S2
Molecular Weight318.39 g/mol
Exact Mass318.05
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCc1ncsc1CNCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S2/c1-9-12(19-8-18-9)7-17-6-10-2-4-11(5-3-10)20-13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyDFPWIBXXVSYPGK-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 62523844
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 63830413
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103998299
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 63280056) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is Cc1ncsc1CNCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is DFPWIBXXVSYPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S2/c1-9-12(19-8-18-9)7-17-6-10-2-4-11(5-3-10)20-13(14,15)16/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 318.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 63280056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).