4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H5Cl2F3N2S — CID 83153285

IUPAC4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyQSHJTSHGBZZDON-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.21
Rot. Bonds2

About 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 83153285) has the molecular formula C10H5Cl2F3N2S and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID83153285
Molecular FormulaC10H5Cl2F3N2S
Molecular Weight313.13 g/mol
Exact Mass311.95
IUPAC Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyQSHJTSHGBZZDON-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.13
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 83153285) is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(Cl)ccc1Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QSHJTSHGBZZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2S/c11-5-1-2-7(6(3-5)10(13,14)15)16-9-17-8(12)4-18-9/h1-4H,(H,16,17).
What are the key properties of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 313.13 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).