N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C11H18F2N2OS — CID 82007021

IUPACN-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COCC(F)F)cs1
InChIInChI=1S/C11H18F2N2OS/c1-8(2)3-14-4-11-15-9(7-17-11)5-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3
InChIKeyRTIORCTUUASGQU-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.67
Rot. Bonds8

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

N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82007021) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82007021
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COCC(F)F)cs1
InChIInChI=1S/C11H18F2N2OS/c1-8(2)3-14-4-11-15-9(7-17-11)5-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3
InChIKeyRTIORCTUUASGQU-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.67
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-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 82007021) is N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(COCC(F)F)cs1.
What is the InChIKey of N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RTIORCTUUASGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-8(2)3-14-4-11-15-9(7-17-11)5-16-6-10(12)13/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82007021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).