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

C12H19F3N2S — CID 106783231

IUPAC2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C(C)CC
InChIInChI=1S/C12H19F3N2S/c1-4-6-16-10(8(3)5-2)9-7-17-11(18-9)12(13,14)15/h7-8,10,16H,4-6H2,1-3H3
InChIKeyAGDWPYDUVHCLDE-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.25
Rot. Bonds6

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

2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106783231) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106783231
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C(C)CC
InChIInChI=1S/C12H19F3N2S/c1-4-6-16-10(8(3)5-2)9-7-17-11(18-9)12(13,14)15/h7-8,10,16H,4-6H2,1-3H3
InChIKeyAGDWPYDUVHCLDE-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.25
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-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118302998
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
2-[2-(4,4-Difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 124183601
(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
2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
CID 134404948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106783231) is 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)C(C)CC.
What is the InChIKey of 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is AGDWPYDUVHCLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-4-6-16-10(8(3)5-2)9-7-17-11(18-9)12(13,14)15/h7-8,10,16H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 280.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106783231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).