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

C13H22F3N3OS — CID 79380505

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C(C)C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)11-10(7-17-5-6-20-4)21-12(18-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyNXYJTQAZYJEXRG-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.00
Rot. Bonds8

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

5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79380505) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79380505
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C(C)C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)11-10(7-17-5-6-20-4)21-12(18-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyNXYJTQAZYJEXRG-UHFFFAOYSA-N
XLogP3.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79380505) is 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC(F)(F)F)nc1C(C)C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is NXYJTQAZYJEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-9(2)11-10(7-17-5-6-20-4)21-12(18-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 325.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79380505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).