1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C7H9F3N2OS — CID 82722727

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1csc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2OS/c1-5-3-14-6(12-5)2-11-13-4-7(8,9)10/h3,11H,2,4H2,1H3
InChIKeyXBHMCRYWMVFQBT-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82722727) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82722727
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1csc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2OS/c1-5-3-14-6(12-5)2-11-13-4-7(8,9)10/h3,11H,2,4H2,1H3
InChIKeyXBHMCRYWMVFQBT-UHFFFAOYSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82722727) is 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1csc(CNOCC(F)(F)F)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is XBHMCRYWMVFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-5-3-14-6(12-5)2-11-13-4-7(8,9)10/h3,11H,2,4H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 226.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82722727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).