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

C15H20FN3OS — CID 62753578

IUPACN-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1ccc(F)cc1)c1ncc(CNCCOC)s1
InChIInChI=1S/C15H20FN3OS/c1-3-19(13-6-4-12(16)5-7-13)15-18-11-14(21-15)10-17-8-9-20-2/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyNRJNYFIFXRYPJD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds8

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

N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62753578) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62753578
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1ccc(F)cc1)c1ncc(CNCCOC)s1
InChIInChI=1S/C15H20FN3OS/c1-3-19(13-6-4-12(16)5-7-13)15-18-11-14(21-15)10-17-8-9-20-2/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyNRJNYFIFXRYPJD-UHFFFAOYSA-N
XLogP3.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
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-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 62753578) is N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is CCN(c1ccc(F)cc1)c1ncc(CNCCOC)s1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is NRJNYFIFXRYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-3-19(13-6-4-12(16)5-7-13)15-18-11-14(21-15)10-17-8-9-20-2/h4-7,11,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 309.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62753578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).