N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H4Cl2F3N3S — CID 624239

IUPACN-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C9H4Cl2F3N3S/c10-4-1-2-5(11)6(3-4)15-8-17-16-7(18-8)9(12,13)14/h1-3H,(H,15,17)
InChIKeyVTCVBXSQCHLOHN-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.61
Rot. Bonds2

About N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 624239) has the molecular formula C9H4Cl2F3N3S and a molecular weight of 314.12 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID624239
Molecular FormulaC9H4Cl2F3N3S
Molecular Weight314.12 g/mol
Exact Mass312.95
IUPAC NameN-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C9H4Cl2F3N3S/c10-4-1-2-5(11)6(3-4)15-8-17-16-7(18-8)9(12,13)14/h1-3H,(H,15,17)
InChIKeyVTCVBXSQCHLOHN-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 624239) is N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(Nc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VTCVBXSQCHLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3S/c10-4-1-2-5(11)6(3-4)15-8-17-16-7(18-8)9(12,13)14/h1-3H,(H,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 314.12 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 624239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).