N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H19F3N2S — CID 114363304

IUPACN-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(CC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2S/c1-12(2,3)11-9(7-17-8-4-5-8)19-10(18-11)6-13(14,15)16/h8,17H,4-7H2,1-3H3
InChIKeyXQZFHKBBYQHRIU-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.80
Rot. Bonds4

About N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114363304) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114363304
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(CC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2S/c1-12(2,3)11-9(7-17-8-4-5-8)19-10(18-11)6-13(14,15)16/h8,17H,4-7H2,1-3H3
InChIKeyXQZFHKBBYQHRIU-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 113497316
N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363196
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730832
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62767959
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438334
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114363304) is N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)c1nc(CC(F)(F)F)sc1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XQZFHKBBYQHRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-12(2,3)11-9(7-17-8-4-5-8)19-10(18-11)6-13(14,15)16/h8,17H,4-7H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 292.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114363304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).