1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol

C14H17FN2OS — CID 55112421

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccc(F)cc2)sc1C(C)O
InChIInChI=1S/C14H17FN2OS/c1-9-13(10(2)18)19-14(16-9)17(3)8-11-4-6-12(15)7-5-11/h4-7,10,18H,8H2,1-3H3
InChIKeyMREBKLHISIEAJE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 55112421) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID55112421
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccc(F)cc2)sc1C(C)O
InChIInChI=1S/C14H17FN2OS/c1-9-13(10(2)18)19-14(16-9)17(3)8-11-4-6-12(15)7-5-11/h4-7,10,18H,8H2,1-3H3
InChIKeyMREBKLHISIEAJE-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 55112421) is 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)Cc2ccc(F)cc2)sc1C(C)O.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is MREBKLHISIEAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-13(10(2)18)19-14(16-9)17(3)8-11-4-6-12(15)7-5-11/h4-7,10,18H,8H2,1-3H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).