2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H21F3N2OS — CID 103150561

IUPAC2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCOCC(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H21F3N2OS/c1-9-10(7-17-12(2,3)4)20-11(18-9)5-6-19-8-13(14,15)16/h17H,5-8H2,1-4H3
InChIKeySBLFRQHNPMWVDR-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.46
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103150561) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103150561
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CCOCC(F)(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H21F3N2OS/c1-9-10(7-17-12(2,3)4)20-11(18-9)5-6-19-8-13(14,15)16/h17H,5-8H2,1-4H3
InChIKeySBLFRQHNPMWVDR-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.46
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

(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 125438175
N-methyl-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 164642780
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490310
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491347
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402337
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402519
N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
CID 62402853
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403377
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403925
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404281
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404464
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103150561) is 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(CCOCC(F)(F)F)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is SBLFRQHNPMWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-9-10(7-17-12(2,3)4)20-11(18-9)5-6-19-8-13(14,15)16/h17H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 310.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103150561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).