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

C12H20F3N3OS — CID 62754413

IUPAC5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C12H20F3N3OS/c1-9(2)18(8-12(13,14)15)11-17-7-10(20-11)6-16-4-5-19-3/h7,9,16H,4-6,8H2,1-3H3
InChIKeyPCCWPBQSJUSOIY-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.66
Rot. Bonds8

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

5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62754413) has the molecular formula C12H20F3N3OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62754413
Molecular FormulaC12H20F3N3OS
Molecular Weight311.37 g/mol
Exact Mass311.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C12H20F3N3OS/c1-9(2)18(8-12(13,14)15)11-17-7-10(20-11)6-16-4-5-19-3/h7,9,16H,4-6,8H2,1-3H3
InChIKeyPCCWPBQSJUSOIY-UHFFFAOYSA-N
XLogP2.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.66
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-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62754413) is 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1cnc(N(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PCCWPBQSJUSOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3OS/c1-9(2)18(8-12(13,14)15)11-17-7-10(20-11)6-16-4-5-19-3/h7,9,16H,4-6,8H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 311.37 g/mol, XLogP of 2.66, 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-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).