4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol

C14H17FN2OS — CID 136889740

IUPAC4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCCNCc1sc(-c2ccc(O)cc2F)nc1CC
InChIInChI=1S/C14H17FN2OS/c1-3-12-13(8-16-4-2)19-14(17-12)10-6-5-9(18)7-11(10)15/h5-7,16,18H,3-4,8H2,1-2H3
InChIKeyIBSJAXVFQXYKTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.33
Rot. Bonds5

About 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol

4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol (PubChem CID 136889740) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
PubChem CID136889740
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCCNCc1sc(-c2ccc(O)cc2F)nc1CC
InChIInChI=1S/C14H17FN2OS/c1-3-12-13(8-16-4-2)19-14(17-12)10-6-5-9(18)7-11(10)15/h5-7,16,18H,3-4,8H2,1-2H3
InChIKeyIBSJAXVFQXYKTF-UHFFFAOYSA-N
XLogP3.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
N-[[2-(2,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368646
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889731
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363649
N-[[2-(2-fluoro-5-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107932057
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
1-[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932020

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol?
The IUPAC name of 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol (CID 136889740) is 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol is CCNCc1sc(-c2ccc(O)cc2F)nc1CC.
What is the InChIKey of 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol?
The InChIKey is IBSJAXVFQXYKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-12-13(8-16-4-2)19-14(17-12)10-6-5-9(18)7-11(10)15/h5-7,16,18H,3-4,8H2,1-2H3.
What are the key properties of 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol?
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol has a molecular weight of 280.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol is sourced from PubChem (CID 136889740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).