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

C10H15F3N2S — CID 106783067

IUPACN,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(c1cnc(C(F)(F)F)s1)C(C)(C)C
InChIInChI=1S/C10H15F3N2S/c1-9(2,3)7(14-4)6-5-15-8(16-6)10(11,12)13/h5,7,14H,1-4H3
InChIKeyMSJNHZFSVSDBBQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.47
Rot. Bonds2

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

N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783067) has the molecular formula C10H15F3N2S and a molecular weight of 252.31 g/mol. Its IUPAC name is N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783067
Molecular FormulaC10H15F3N2S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC NameN,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(c1cnc(C(F)(F)F)s1)C(C)(C)C
InChIInChI=1S/C10H15F3N2S/c1-9(2,3)7(14-4)6-5-15-8(16-6)10(11,12)13/h5,7,14H,1-4H3
InChIKeyMSJNHZFSVSDBBQ-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine
CID 106783429
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
N-methyl-1-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783534
1-(3,5-dichlorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785809
N-methyl-1-pyrazin-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783069
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783493
1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785216
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786388

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783067) is N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(c1cnc(C(F)(F)F)s1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is MSJNHZFSVSDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-9(2,3)7(14-4)6-5-15-8(16-6)10(11,12)13/h5,7,14H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 252.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).