N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

C9H13F3N2OS — CID 103150108

IUPACN-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-13-4-7-5-14-8(16-7)2-3-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyPXXOVXMSGKTBLW-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 103150108) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID103150108
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-13-4-7-5-14-8(16-7)2-3-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3
InChIKeyPXXOVXMSGKTBLW-UHFFFAOYSA-N
XLogP1.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
[1-Amino-2-(5-methyl-1,3-thiazol-2-yl)ethyl] 2,2,2-trifluoroacetate
CID 69714138
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729
5-(Difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole
CID 156799459
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 103150108) is N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is CNCc1cnc(CCOCC(F)(F)F)s1.
What is the InChIKey of N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is PXXOVXMSGKTBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-13-4-7-5-14-8(16-7)2-3-15-6-9(10,11)12/h5,13H,2-4,6H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 254.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).