3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

C9H13F3N2S — CID 106782985

IUPAC3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCC(C)CC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-5(2)3-6(13)7-4-14-8(15-7)9(10,11)12/h4-6H,3,13H2,1-2H3
InChIKeySGIQBZDMWVTZED-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106782985) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106782985
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCC(C)CC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-5(2)3-6(13)7-4-14-8(15-7)9(10,11)12/h4-6H,3,13H2,1-2H3
InChIKeySGIQBZDMWVTZED-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017
N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607
1-[2-[(Z)-1-(2,2,2-trifluoroethylideneamino)pent-1-en-3-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390733
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106782985) is 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CC(C)CC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is SGIQBZDMWVTZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-5(2)3-6(13)7-4-14-8(15-7)9(10,11)12/h4-6H,3,13H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106782985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).