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

C12H13FN2S — CID 104599790

IUPAC5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccccc2F)s1
InChIInChI=1S/C12H13FN2S/c1-2-10-8-15-12(16-10)14-7-9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyQJNGAJPOEIKOPI-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.46
Rot. Bonds4

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

5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 104599790) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID104599790
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccccc2F)s1
InChIInChI=1S/C12H13FN2S/c1-2-10-8-15-12(16-10)14-7-9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyQJNGAJPOEIKOPI-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79771666
5-[(2-fluorophenyl)methyl]-N-[(3-methyltriazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 86790650
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599766
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111513777
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-ethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 86790656
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 104599790) is 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine is CCc1cnc(NCc2ccccc2F)s1.
What is the InChIKey of 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is QJNGAJPOEIKOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-10-8-15-12(16-10)14-7-9-5-3-4-6-11(9)13/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104599790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).