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

C14H15F3N2S — CID 115091957

IUPACN-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2S/c1-18-8-2-3-12-9-19-13(20-12)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3
InChIKeySDHZXKAMEAHKGG-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.98
Rot. Bonds5

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

N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115091957) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115091957
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2S/c1-18-8-2-3-12-9-19-13(20-12)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3
InChIKeySDHZXKAMEAHKGG-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091428
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
N-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117195746
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
[2-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82424310
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
CID 115092126
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
CID 115091659
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792
1-(3-phenylprop-2-ynyl)-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]urea
CID 154862461

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine (CID 115091957) is N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine is CNCCCc1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is SDHZXKAMEAHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-18-8-2-3-12-9-19-13(20-12)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3.
What are the key properties of N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115091957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).