N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

C13H14F2N2OS — CID 62543889

IUPACN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C13H14F2N2OS/c1-18-5-4-16-7-13-17-12(8-19-13)10-3-2-9(14)6-11(10)15/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeyNIHRXFKFKLXNBS-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.82
Rot. Bonds6

About N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62543889) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID62543889
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC NameN-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C13H14F2N2OS/c1-18-5-4-16-7-13-17-12(8-19-13)10-3-2-9(14)6-11(10)15/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeyNIHRXFKFKLXNBS-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (CID 62543889) is N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is NIHRXFKFKLXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-18-5-4-16-7-13-17-12(8-19-13)10-3-2-9(14)6-11(10)15/h2-3,6,8,16H,4-5,7H2,1H3.
What are the key properties of N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 284.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62543889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).