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

C16H13F3N2S2 — CID 53272771

IUPACN-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ncc(-c3ccsc3)s2)cc1
InChIInChI=1S/C16H13F3N2S2/c17-16(18,19)13-3-1-11(2-4-13)7-20-9-15-21-8-14(23-15)12-5-6-22-10-12/h1-6,8,10,20H,7,9H2
InChIKeyPFTSUTJJFXIWMQ-UHFFFAOYSA-N
MW354.42 g/mol
LogP5.18
Rot. Bonds5

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

N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272771) has the molecular formula C16H13F3N2S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID53272771
Molecular FormulaC16H13F3N2S2
Molecular Weight354.42 g/mol
Exact Mass354.05
IUPAC NameN-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ncc(-c3ccsc3)s2)cc1
InChIInChI=1S/C16H13F3N2S2/c17-16(18,19)13-3-1-11(2-4-13)7-20-9-15-21-8-14(23-15)12-5-6-22-10-12/h1-6,8,10,20H,7,9H2
InChIKeyPFTSUTJJFXIWMQ-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792
N-[(1-propan-2-yl-6-thiophen-3-ylindazol-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 171343898
4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
CID 53272736
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 79794361

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 53272771) is N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2ncc(-c3ccsc3)s2)cc1.
What is the InChIKey of N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PFTSUTJJFXIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2S2/c17-16(18,19)13-3-1-11(2-4-13)7-20-9-15-21-8-14(23-15)12-5-6-22-10-12/h1-6,8,10,20H,7,9H2.
What are the key properties of N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 354.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).