N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine

C12H13FN2OS — CID 79774764

IUPACN-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2OS/c1-2-14-12-15-7-11(17-12)8-16-10-5-3-4-9(13)6-10/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyDEDFINBQCQTCRD-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds5

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

N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774764) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774764
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC NameN-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2OS/c1-2-14-12-15-7-11(17-12)8-16-10-5-3-4-9(13)6-10/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyDEDFINBQCQTCRD-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79775055
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine (CID 79774764) is N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine is CCNc1ncc(COc2cccc(F)c2)s1.
What is the InChIKey of N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is DEDFINBQCQTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-14-12-15-7-11(17-12)8-16-10-5-3-4-9(13)6-10/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 252.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).