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

C13H20F3N3OS — CID 63918515

IUPAC4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C13H20F3N3OS/c1-19(8-13(14,15)16)12-18-11(9-3-4-9)10(21-12)7-17-5-6-20-2/h9,17H,3-8H2,1-2H3
InChIKeyGWXFKDBWJIUOHC-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.76
Rot. Bonds8

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

4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 63918515) has the molecular formula C13H20F3N3OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID63918515
Molecular FormulaC13H20F3N3OS
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC Name4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C13H20F3N3OS/c1-19(8-13(14,15)16)12-18-11(9-3-4-9)10(21-12)7-17-5-6-20-2/h9,17H,3-8H2,1-2H3
InChIKeyGWXFKDBWJIUOHC-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.76
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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Related Compounds

4-[5-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 138638585
N-[4-[5-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 138638818
5-(aminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117229
5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117367
N-methyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117417
5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117892
N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117941
N-methyl-4-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766798
N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766967
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766968
5-[(tert-butylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766969
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 63918515) is 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC(F)(F)F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is GWXFKDBWJIUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3OS/c1-19(8-13(14,15)16)12-18-11(9-3-4-9)10(21-12)7-17-5-6-20-2/h9,17H,3-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63918515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).