N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C10H15F3N2OS — CID 62445596

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(2)14-3-9-15-8(5-17-9)4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPWNPEPUTBVVNDA-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.72
Rot. Bonds6

About N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62445596) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62445596
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(2)14-3-9-15-8(5-17-9)4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPWNPEPUTBVVNDA-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62445596) is N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is PWNPEPUTBVVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7(2)14-3-9-15-8(5-17-9)4-16-6-10(11,12)13/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 268.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62445596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).