5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

C9H6F3N3S — CID 7479832

IUPAC5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKeyIKOYAQXGLSFYSH-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.81
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 7479832) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID7479832
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKeyIKOYAQXGLSFYSH-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 7479832) is 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IKOYAQXGLSFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 245.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7479832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).