5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine

C10H8ClFN2OS — CID 83051831

IUPAC5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2c(F)cccc2Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-7-2-1-3-8(12)9(7)15-5-6-4-14-10(13)16-6/h1-4H,5H2,(H2,13,14)
InChIKeyXSBFJMNUDQXZQJ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.10
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine

5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 83051831) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID83051831
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2c(F)cccc2Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-7-2-1-3-8(12)9(7)15-5-6-4-14-10(13)16-6/h1-4H,5H2,(H2,13,14)
InChIKeyXSBFJMNUDQXZQJ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine (CID 83051831) is 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2c(F)cccc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is XSBFJMNUDQXZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-7-2-1-3-8(12)9(7)15-5-6-4-14-10(13)16-6/h1-4H,5H2,(H2,13,14).
What are the key properties of 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine?
5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 258.70 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83051831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).