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

C13H22F3N3OS — CID 62767678

IUPACN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CNCCOC
InChIInChI=1S/C13H22F3N3OS/c1-4-10-11(8-17-6-7-20-3)21-12(18-10)19(5-2)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyMBCSEUGLEZTYPP-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.83
Rot. Bonds9

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

N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767678) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767678
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC NameN,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CNCCOC
InChIInChI=1S/C13H22F3N3OS/c1-4-10-11(8-17-6-7-20-3)21-12(18-10)19(5-2)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyMBCSEUGLEZTYPP-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.83
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 N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767678) is N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)CC(F)(F)F)sc1CNCCOC.
What is the InChIKey of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is MBCSEUGLEZTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-4-10-11(8-17-6-7-20-3)21-12(18-10)19(5-2)9-13(14,15)16/h17H,4-9H2,1-3H3.
What are the key properties of N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 325.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).