4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3OS — CID 107509953

IUPAC4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C(C)C)nc1COC
InChIInChI=1S/C12H20F3N3OS/c1-8(2)18(7-12(13,14)15)11-17-9(6-19-4)10(20-11)5-16-3/h8,16H,5-7H2,1-4H3
InChIKeyQJODJOXOCHBEJY-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.79
Rot. Bonds7

About 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 107509953) has the molecular formula C12H20F3N3OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID107509953
Molecular FormulaC12H20F3N3OS
Molecular Weight311.37 g/mol
Exact Mass311.13
IUPAC Name4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C(C)C)nc1COC
InChIInChI=1S/C12H20F3N3OS/c1-8(2)18(7-12(13,14)15)11-17-9(6-19-4)10(20-11)5-16-3/h8,16H,5-7H2,1-4H3
InChIKeyQJODJOXOCHBEJY-UHFFFAOYSA-N
XLogP2.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768890
4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509950
N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509659
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62766894
N-ethyl-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 55117369
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509708
N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 107509731

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 107509953) is 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNCc1sc(N(CC(F)(F)F)C(C)C)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is QJODJOXOCHBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3OS/c1-8(2)18(7-12(13,14)15)11-17-9(6-19-4)10(20-11)5-16-3/h8,16H,5-7H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 311.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).