N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H19F3N2OS — CID 116730832

IUPACN-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(C)(C)c1nc(C(F)(F)F)c(CNC2CC2)s1
InChIInChI=1S/C13H19F3N2OS/c1-4-19-12(2,3)11-18-10(13(14,15)16)9(20-11)7-17-8-5-6-8/h8,17H,4-7H2,1-3H3
InChIKeyHRKYYSGOJPMUEQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116730832) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116730832
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(C)(C)c1nc(C(F)(F)F)c(CNC2CC2)s1
InChIInChI=1S/C13H19F3N2OS/c1-4-19-12(2,3)11-18-10(13(14,15)16)9(20-11)7-17-8-5-6-8/h8,17H,4-7H2,1-3H3
InChIKeyHRKYYSGOJPMUEQ-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730788
N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 113497316
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777911
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116774396
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
1-[4-cyclopropyl-2-(2-ethoxybutan-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367080
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116730832) is N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC(C)(C)c1nc(C(F)(F)F)c(CNC2CC2)s1.
What is the InChIKey of N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HRKYYSGOJPMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-4-19-12(2,3)11-18-10(13(14,15)16)9(20-11)7-17-8-5-6-8/h8,17H,4-7H2,1-3H3.
What are the key properties of N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 308.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116730832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).