[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine

C10H8ClFN2OS — CID 117258709

IUPAC[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Oc2ccccc2F)nc1Cl
InChIInChI=1S/C10H8ClFN2OS/c11-9-8(5-13)16-10(14-9)15-7-4-2-1-3-6(7)12/h1-4H,5,13H2
InChIKeyDZOCZNOEUOOAEE-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.19
Rot. Bonds3

About [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine

[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine (PubChem CID 117258709) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine
PubChem CID117258709
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Oc2ccccc2F)nc1Cl
InChIInChI=1S/C10H8ClFN2OS/c11-9-8(5-13)16-10(14-9)15-7-4-2-1-3-6(7)12/h1-4H,5,13H2
InChIKeyDZOCZNOEUOOAEE-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine (CID 117258709) is [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine is NCc1sc(Oc2ccccc2F)nc1Cl.
What is the InChIKey of [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DZOCZNOEUOOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-9-8(5-13)16-10(14-9)15-7-4-2-1-3-6(7)12/h1-4H,5,13H2.
What are the key properties of [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine?
[4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine has a molecular weight of 258.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 117258709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).