2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole

C9H6F3N3S — CID 139463100

IUPAC2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccnc(Cc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2
InChIKeyFGZUIAXRTIPNFC-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.54
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole

2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole (PubChem CID 139463100) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
PubChem CID139463100
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccnc(Cc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2
InChIKeyFGZUIAXRTIPNFC-UHFFFAOYSA-N
XLogP2.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 175935780
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
CID 124518140
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
CID 66330877
trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
CID 125470676
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 143994599
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
3-[(4-tert-butyl-2-pyridinyl)methyl]-5-(trifluoromethyl)benzonitrile
CID 166568375

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole (CID 139463100) is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole is FC(F)(F)c1ccnc(Cc2nncs2)c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The InChIKey is FGZUIAXRTIPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2.
What are the key properties of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole has a molecular weight of 245.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 139463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).