2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline

C10H8F3N3S2 — CID 55021329

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
SMILESCc1nnc(Sc2ccc(C(F)(F)F)cc2N)s1
InChIInChI=1S/C10H8F3N3S2/c1-5-15-16-9(17-5)18-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,14H2,1H3
InChIKeyIZIJNHWJTMOGMN-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.60
Rot. Bonds2

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline (PubChem CID 55021329) has the molecular formula C10H8F3N3S2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
PubChem CID55021329
Molecular FormulaC10H8F3N3S2
Molecular Weight291.32 g/mol
Exact Mass291.01
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
SMILESCc1nnc(Sc2ccc(C(F)(F)F)cc2N)s1
InChIInChI=1S/C10H8F3N3S2/c1-5-15-16-9(17-5)18-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,14H2,1H3
InChIKeyIZIJNHWJTMOGMN-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline (CID 55021329) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline is Cc1nnc(Sc2ccc(C(F)(F)F)cc2N)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline?
The InChIKey is IZIJNHWJTMOGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S2/c1-5-15-16-9(17-5)18-8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,14H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline has a molecular weight of 291.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 55021329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).