4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H5Cl2F3N2S — CID 83152925

IUPAC4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2nc(Cl)cs2)c1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeySMSZHHLXHQTEDS-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.21
Rot. Bonds2

About 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 83152925) has the molecular formula C10H5Cl2F3N2S and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID83152925
Molecular FormulaC10H5Cl2F3N2S
Molecular Weight313.13 g/mol
Exact Mass311.95
IUPAC Name4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2nc(Cl)cs2)c1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeySMSZHHLXHQTEDS-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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Related Compounds

2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 83153285
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868173
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine
CID 87382746

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 83152925) is 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Cl)c(Nc2nc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is SMSZHHLXHQTEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17).
What are the key properties of 4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-chloro-N-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83152925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).