(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol

C14H17FN2OS — CID 97222419

IUPAC(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol
SMILESCCc1ncc(CN[C@@H](CO)c2ccccc2F)s1
InChIInChI=1S/C14H17FN2OS/c1-2-14-17-8-10(19-14)7-16-13(9-18)11-5-3-4-6-12(11)15/h3-6,8,13,16,18H,2,7,9H2,1H3/t13-/m0/s1
InChIKeyWVUAERFRLSQOBH-ZDUSSCGKSA-N
MW280.37 g/mol
LogP2.67
Rot. Bonds6

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

(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol (PubChem CID 97222419) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol
PubChem CID97222419
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol
SMILESCCc1ncc(CN[C@@H](CO)c2ccccc2F)s1
InChIInChI=1S/C14H17FN2OS/c1-2-14-17-8-10(19-14)7-16-13(9-18)11-5-3-4-6-12(11)15/h3-6,8,13,16,18H,2,7,9H2,1H3/t13-/m0/s1
InChIKeyWVUAERFRLSQOBH-ZDUSSCGKSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol (CID 97222419) is (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol is CCc1ncc(CN[C@@H](CO)c2ccccc2F)s1.
What is the InChIKey of (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol?
The InChIKey is WVUAERFRLSQOBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-14-17-8-10(19-14)7-16-13(9-18)11-5-3-4-6-12(11)15/h3-6,8,13,16,18H,2,7,9H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol?
(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 97222419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).