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

C13H14ClFN2OS — CID 75514416

IUPAC1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C13H14ClFN2OS/c1-8-17-10(7-19-8)5-16-6-13(18)9-2-3-11(14)12(15)4-9/h2-4,7,13,16,18H,5-6H2,1H3
InChIKeyDBHGLGFKUIOMMV-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.07
Rot. Bonds5

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

1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol (PubChem CID 75514416) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol
PubChem CID75514416
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESCc1nc(CNCC(O)c2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C13H14ClFN2OS/c1-8-17-10(7-19-8)5-16-6-13(18)9-2-3-11(14)12(15)4-9/h2-4,7,13,16,18H,5-6H2,1H3
InChIKeyDBHGLGFKUIOMMV-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol (CID 75514416) is 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol is Cc1nc(CNCC(O)c2ccc(Cl)c(F)c2)cs1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol?
The InChIKey is DBHGLGFKUIOMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c1-8-17-10(7-19-8)5-16-6-13(18)9-2-3-11(14)12(15)4-9/h2-4,7,13,16,18H,5-6H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol has a molecular weight of 300.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 75514416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).