(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone

C10H6F3N3OS — CID 102458492

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1nnc(C(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-5(2-4-6)7(17)8-15-16-9(14)18-8/h1-4H,(H2,14,16)
InChIKeyZUWYADJFFZQJRM-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.37
Rot. Bonds2

About (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone

(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 102458492) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID102458492
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1nnc(C(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-5(2-4-6)7(17)8-15-16-9(14)18-8/h1-4H,(H2,14,16)
InChIKeyZUWYADJFFZQJRM-UHFFFAOYSA-N
XLogP2.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 102458492) is (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone is Nc1nnc(C(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZUWYADJFFZQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c11-10(12,13)6-3-1-5(2-4-6)7(17)8-15-16-9(14)18-8/h1-4H,(H2,14,16).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 273.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102458492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).