N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H7Cl2FN2S — CID 83078282

IUPACN-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C9H7Cl2FN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyNHNZDEIQAREVJY-UHFFFAOYSA-N
MW265.14 g/mol
LogP3.65
Rot. Bonds1

About N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83078282) has the molecular formula C9H7Cl2FN2S and a molecular weight of 265.14 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83078282
Molecular FormulaC9H7Cl2FN2S
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C9H7Cl2FN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyNHNZDEIQAREVJY-UHFFFAOYSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83078282) is N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(Cl)c(NC2=NCCS2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NHNZDEIQAREVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 265.14 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83078282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).