N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H5Cl2F3N2S — CID 2746055

IUPACN-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(3-7(6)12)16-9-17-8(4-18-9)10(13,14)15/h1-4H,(H,16,17)
InChIKeyVPAWNFAPHIBOQI-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.21
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 2746055) has the molecular formula C10H5Cl2F3N2S and a molecular weight of 313.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID2746055
Molecular FormulaC10H5Cl2F3N2S
Molecular Weight313.13 g/mol
Exact Mass311.95
IUPAC NameN-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(3-7(6)12)16-9-17-8(4-18-9)10(13,14)15/h1-4H,(H,16,17)
InChIKeyVPAWNFAPHIBOQI-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 N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 2746055) is N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is VPAWNFAPHIBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2S/c11-6-2-1-5(3-7(6)12)16-9-17-8(4-18-9)10(13,14)15/h1-4H,(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-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 N-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2746055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).