4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine

C9H5ClF2N2S — CID 83152683

IUPAC4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(F)c(Nc2nc(Cl)cs2)c1
InChIInChI=1S/C9H5ClF2N2S/c10-8-4-15-9(14-8)13-7-3-5(11)1-2-6(7)12/h1-4H,(H,13,14)
InChIKeyRCIVTNJUCVTGBJ-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine

4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 83152683) has the molecular formula C9H5ClF2N2S and a molecular weight of 246.67 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID83152683
Molecular FormulaC9H5ClF2N2S
Molecular Weight246.67 g/mol
Exact Mass245.98
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(F)c(Nc2nc(Cl)cs2)c1
InChIInChI=1S/C9H5ClF2N2S/c10-8-4-15-9(14-8)13-7-3-5(11)1-2-6(7)12/h1-4H,(H,13,14)
InChIKeyRCIVTNJUCVTGBJ-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine (CID 83152683) is 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(F)c(Nc2nc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is RCIVTNJUCVTGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2S/c10-8-4-15-9(14-8)13-7-3-5(11)1-2-6(7)12/h1-4H,(H,13,14).
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine?
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 246.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).