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

C13H15FN2OS — CID 136889710

IUPAC4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCCNC(C)c1cnc(-c2ccc(O)cc2F)s1
InChIInChI=1S/C13H15FN2OS/c1-3-15-8(2)12-7-16-13(18-12)10-5-4-9(17)6-11(10)14/h4-8,15,17H,3H2,1-2H3
InChIKeyHKKGBTJOSMIDCA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.33
Rot. Bonds4

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

4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol (PubChem CID 136889710) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol
PubChem CID136889710
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCCNC(C)c1cnc(-c2ccc(O)cc2F)s1
InChIInChI=1S/C13H15FN2OS/c1-3-15-8(2)12-7-16-13(18-12)10-5-4-9(17)6-11(10)14/h4-8,15,17H,3H2,1-2H3
InChIKeyHKKGBTJOSMIDCA-UHFFFAOYSA-N
XLogP3.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
N-ethyl-1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 65197718
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
CID 114908199
3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889731
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66161070
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol?
The IUPAC name of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol (CID 136889710) is 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol is CCNC(C)c1cnc(-c2ccc(O)cc2F)s1.
What is the InChIKey of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol?
The InChIKey is HKKGBTJOSMIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-15-8(2)12-7-16-13(18-12)10-5-4-9(17)6-11(10)14/h4-8,15,17H,3H2,1-2H3.
What are the key properties of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol?
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol has a molecular weight of 266.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol is sourced from PubChem (CID 136889710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).